Glycoside
...
GD001935

Name:
OXYTROFLAVOSIDE D

Formula:
C28H30O15

Smiles:
COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc2c1

Aglycone:
COC(=O)CC(C)(O)CC(=O)O.COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 7 FractionCSP3: 0.39
AlogP: 0.23 Num_rotatable_bonds: 10
MolWt: 606.53 Num_heavy_atoms: 43
TPSA: 242.88 NumAromaticRings: 3

Unique Aglycone
AD01854
Formula: C7H12O5

Smiles:
COC(=O)CC(C)(O)CC(=O)O
HBA: 5 RingCount: 0
HBD: 2 FractionCSP3: 0.71
AlogP: -0.22 Num_rotatable_bonds: 4
MolWt: 176.17 Num_heavy_atoms: 12
TPSA: 83.83 NumAromaticRings: 0
AD01882
Formula: C16H12O6

Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.06
AlogP: 2.59 Num_rotatable_bonds: 2
MolWt: 300.27 Num_heavy_atoms: 22
TPSA: 100.13 NumAromaticRings: 3

Sugarmoiety
SD00017

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