Glycoside
...
GD028979

Name:
OENOTHEIN C

Formula:
C34H24O22

Smiles:
O=C(O[C@@H]1[C@H](OC(=O)c2cc(O)c(O)c(O)c2Oc2cc3c(=O)oc4c(O)c(O)cc5c(=O)oc(c2O)c3c45)C(O)O[C@H](CO)[C@H]1O)c1cc(O)c(O)c(O)c1

Aglycone:
O=C(O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(O)c1Oc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 7
HBD: 12 FractionCSP3: 0.18
AlogP: 0.45 Num_rotatable_bonds: 7
MolWt: 784.54 Num_heavy_atoms: 56
TPSA: 374.24 NumAromaticRings: 6

Unique Aglycone
AD00518
Formula: C7H6O5

Smiles:
O=C(O)c1cc(O)c(O)c(O)c1
HBA: 5 RingCount: 1
HBD: 4 FractionCSP3: 0.0
AlogP: 0.5 Num_rotatable_bonds: 1
MolWt: 170.12 Num_heavy_atoms: 12
TPSA: 97.99 NumAromaticRings: 1
AD18889
Formula: C21H10O13

Smiles:
O=C(O)c1cc(O)c(O)c(O)c1Oc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34
HBA: 13 RingCount: 5
HBD: 7 FractionCSP3: 0.0
AlogP: 2.21 Num_rotatable_bonds: 3
MolWt: 470.3 Num_heavy_atoms: 34
TPSA: 228.33 NumAromaticRings: 5

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O