Glycoside
...
GD033142

Name:
None

Formula:
C29H46O13

Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](C(C)C)C[C@H](OC(=O)C[C@@](C)(O)CC(=O)O)[C@@]3(C)[C@@H]2C(C)=CC[C@H]3O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC1=CCC(O)C2(C)C(OC(=O)CC(C)(O)CC(=O)O)CC(C(C)C)C(O)C12.COC(C)=O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 6 FractionCSP3: 0.83
AlogP: 0.28 Num_rotatable_bonds: 10
MolWt: 602.67 Num_heavy_atoms: 42
TPSA: 209.51 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD21179
Formula: C21H34O7

Smiles:
CC1=CCC(O)C2(C)C(OC(=O)CC(C)(O)CC(=O)O)CC(C(C)C)C(O)C12
HBA: 7 RingCount: 2
HBD: 4 FractionCSP3: 0.81
AlogP: 1.88 Num_rotatable_bonds: 6
MolWt: 398.5 Num_heavy_atoms: 28
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O