Glycoside
...
GD034148

Name:
None

Formula:
C23H36O12

Smiles:
CC(=O)OC[C@@H]1O[C@H](OCC2=CO[C@H](OC(=O)CC(C)C)C3C2C[C@H](O)[C@H]3CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(C)CC(=O)OC1OC=C(CO)C2CC(O)C(CO)C12.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 5 FractionCSP3: 0.83
AlogP: -1.19 Num_rotatable_bonds: 9
MolWt: 504.53 Num_heavy_atoms: 35
TPSA: 181.44 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
AD08564
Formula: C15H24O6

Smiles:
CC(C)CC(=O)OC1OC=C(CO)C2CC(O)C(CO)C12
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.8
AlogP: 0.41 Num_rotatable_bonds: 5
MolWt: 300.35 Num_heavy_atoms: 21
TPSA: 96.22 NumAromaticRings: 0

Sugarmoiety
SD00017

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