Glycoside
...
GD015710

Name:
None

Formula:
C21H28O12

Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](OC(C)(C)C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1O

Aglycone:
CC(C)(O)C(=O)O.COC(=O)C=Cc1cc(OC)c(O)c(OC)c1

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 5 FractionCSP3: 0.52
AlogP: -0.35 Num_rotatable_bonds: 9
MolWt: 472.44 Num_heavy_atoms: 33
TPSA: 181.44 NumAromaticRings: 1

Unique Aglycone
AD03982
Formula: C12H14O5

Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.25
AlogP: 1.6 Num_rotatable_bonds: 4
MolWt: 238.24 Num_heavy_atoms: 17
TPSA: 64.99 NumAromaticRings: 1
AD11383
Formula: C4H8O3

Smiles:
CC(C)(O)C(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.75
AlogP: -0.16 Num_rotatable_bonds: 1
MolWt: 104.1 Num_heavy_atoms: 7
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00017

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