Glycoside
...
GD126675

Name:
6-{[9-({[3-({5-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)-5-({5-[(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-6-methyloctanoyl)oxy]-3-hydroxy-6-methyloctanoyl}oxy)-4-hydroxy-6-methyloxan-2-yl]oxy}carbonyl)-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C92H148O45

Smiles:
CCC(C)C(CC(O)CC(=O)OC1C(C)OC(OC(=O)C2CC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(OC8OCC(O)C(O)C8O)C7OC7CC(O)C(O)C(CO)O7)C(C)(C=O)C6CCC5(C)C4(C)CC(O)C23)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)(CO)C4O)C3O)C(O)C2O)C1O)OC(=O)CC(O)CC(OC1OC(CO)C(O)C1O)C(C)CC

Aglycone:
CC1(C)CC(C(=O)O)C2C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1.CCC(C)C(O)CC(O)CC(=O)OC(CC(O)CC(=O)O)C(C)CC

Sugarmoiety:
CC1OC(O)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)(CO)C4O)C3O)C(O)C2O)C(O)C1O.O=C(O)C1OC(O)C(OC2CC(O)C(O)C(CO)O2)C(OC2OCC(O)C(O)C2O)C1O.OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 45 RingCount: 13
HBD: 22 FractionCSP3: 0.92
AlogP: -4.8 Num_rotatable_bonds: 35
MolWt: 1974.15 Num_heavy_atoms: 137
TPSA: 696.55 NumAromaticRings: 0

Unique Aglycone
AD07302
Formula: C18H34O7

Smiles:
CCC(C)C(O)CC(O)CC(=O)OC(CC(O)CC(=O)O)C(C)CC
HBA: 7 RingCount: 0
HBD: 4 FractionCSP3: 0.89
AlogP: 1.72 Num_rotatable_bonds: 13
MolWt: 362.46 Num_heavy_atoms: 25
TPSA: 124.29 NumAromaticRings: 0
AD47942
Formula: C30H46O5

Smiles:
CC1(C)CC(C(=O)O)C2C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 5.24 Num_rotatable_bonds: 2
MolWt: 486.69 Num_heavy_atoms: 35
TPSA: 94.83 NumAromaticRings: 0

Sugarmoiety
SD06667

CC1OC(O)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)(CO)C4O)C3O)C(O)C2O)C(O)C1O.O=C(O)C1OC(O)C(OC2CC(O)C(O)C(CO)O2)C(OC2OCC(O)C(O)C2O)C1O.OCC1OC(O)C(O)C1O