Glycoside
...
GD005995

Name:
methyl 10-(acetyloxy)-9-[(acetyloxy)methyl]-2,4a,6a,6b,9,12a-hexamethyl-12-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate

Formula:
C41H64O11

Smiles:
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](CC[C@]43C)[C@@](C)(COC(C)=O)[C@@H](OC(C)=O)C[C@H]5O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]2C1

Aglycone:
COC(=O)C1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)C(O)CC(OC(C)=O)C(C)(COC(C)=O)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 3 FractionCSP3: 0.88
AlogP: 5.26 Num_rotatable_bonds: 6
MolWt: 732.95 Num_heavy_atoms: 52
TPSA: 158.05 NumAromaticRings: 0

Unique Aglycone
AD05002
Formula: C35H54O7

Smiles:
COC(=O)C1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)C(O)CC(OC(C)=O)C(C)(COC(C)=O)C5CCC43C)C2C1
HBA: 7 RingCount: 5
HBD: 1 FractionCSP3: 0.86
AlogP: 6.41 Num_rotatable_bonds: 4
MolWt: 586.81 Num_heavy_atoms: 42
TPSA: 99.13 NumAromaticRings: 0

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O