Glycoside
...
GD008394

Name:
Martynoside

Formula:
C31H40O15

Smiles:
COc1ccc(CCOC2OC(CO)C(OC(=O)C=Cc3ccc(O)c(OC)c3)C(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)C2O)cc1O

Aglycone:
COc1cc(C=CC(=O)O)ccc1O.COc1ccc(CCO)cc1O

Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 7 FractionCSP3: 0.52
AlogP: -0.41 Num_rotatable_bonds: 12
MolWt: 652.65 Num_heavy_atoms: 46
TPSA: 223.29 NumAromaticRings: 2

Unique Aglycone
AD00175
Formula: C10H10O4

Smiles:
COc1cc(C=CC(=O)O)ccc1O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.5 Num_rotatable_bonds: 3
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1
AD01182
Formula: C9H12O3

Smiles:
COc1ccc(CCO)cc1O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.33
AlogP: 0.94 Num_rotatable_bonds: 3
MolWt: 168.19 Num_heavy_atoms: 12
TPSA: 49.69 NumAromaticRings: 1

Sugarmoiety
SD00323

CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O