Glycoside
...
GD127505

Name:
methyl 5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxy-6-{[9-hydroxy-11-(methoxycarbonyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}oxane-2-carboxylate

Formula:
C50H80O19

Smiles:
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C(=O)OC)CC(O)C5(C)CCC34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O

Aglycone:
COC(=O)C1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 9 FractionCSP3: 0.92
AlogP: 0.97 Num_rotatable_bonds: 9
MolWt: 985.17 Num_heavy_atoms: 69
TPSA: 290.05 NumAromaticRings: 0

Unique Aglycone
AD51635
Formula: C31H50O4

Smiles:
COC(=O)C1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 6.29 Num_rotatable_bonds: 1
MolWt: 486.74 Num_heavy_atoms: 35
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD01897

COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O