Glycoside
...
GD031253

Name:
None

Formula:
C33H46O12

Smiles:
COC(=O)[C@@H]1O[C@H](OC(=O)[C@@]2(C)CCC[C@@]3(C)[C@H]4CC[C@]5(C)C[C@]4(CC[C@@H]23)CC5=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC12CCC3C(CCC4C(C)(C(=O)O)CCCC34C)(CC1=O)C2

Sugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 0 FractionCSP3: 0.82
AlogP: 3.59 Num_rotatable_bonds: 6
MolWt: 634.72 Num_heavy_atoms: 45
TPSA: 157.8 NumAromaticRings: 0

Unique Aglycone
AD09437
Formula: C20H30O3

Smiles:
CC12CCC3C(CCC4C(C)(C(=O)O)CCCC34C)(CC1=O)C2
HBA: 3 RingCount: 4
HBD: 1 FractionCSP3: 0.9
AlogP: 4.44 Num_rotatable_bonds: 1
MolWt: 318.46 Num_heavy_atoms: 23
TPSA: 54.37 NumAromaticRings: 0

Sugarmoiety
SD00268

COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O