Glycoside
...
GD134538

Name:
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxy-6-{[9-hydroxy-4,11-bis(hydroxymethyl)-4,6a,6b,8a,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}oxane-2-carboxylic acid

Formula:
C48H78O19

Smiles:
CC1OC(OC2C(OC3C(C(=O)O)OC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(CO)CC(O)C7(C)CCC56C)C4(C)CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(CO)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(OC3C(C(=O)O)OC(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 12 FractionCSP3: 0.94
AlogP: -0.32 Num_rotatable_bonds: 10
MolWt: 959.13 Num_heavy_atoms: 67
TPSA: 315.21 NumAromaticRings: 0

Unique Aglycone
AD45018
Formula: C30H50O4

Smiles:
CC1(CO)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 4 FractionCSP3: 0.93
AlogP: 5.08 Num_rotatable_bonds: 2
MolWt: 474.73 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD06600

CC1OC(OC2C(OC3C(C(=O)O)OC(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O