Glycoside
...
GD036527

Name:
None

Formula:
C21H32O9

Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@H](C)C=C[C@]2(O)C(C)=CC(=O)CC2(C)C)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)O.COC(C)=O

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

Other Identifiers

Properties
HBA: 9 RingCount: 2
HBD: 4 FractionCSP3: 0.71
AlogP: -0.01 Num_rotatable_bonds: 6
MolWt: 428.48 Num_heavy_atoms: 30
TPSA: 142.75 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
AD07665
Formula: C13H20O3

Smiles:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.62
AlogP: 1.6 Num_rotatable_bonds: 2
MolWt: 224.3 Num_heavy_atoms: 16
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00017

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