Glycoside
GD032701
Name:
(3,4,5-trihydroxy-6-{[7-hydroxy-4-(4-hydroxyphenyl)-2-oxo-2H-chromen-5-yl]oxy}oxan-2-yl)methyl acetateFormula:
C23H22O11Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2cc(O)cc3oc(=O)cc(-c4ccc(O)cc4)c23)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(C)=O.O=c1cc(-c2ccc(O)cc2)c2c(O)cc(O)cc2o1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.42 | Num_heavy_atoms: | 34 |
| TPSA: | 176.12 | NumAromaticRings: | 3 |
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 |
AD20932
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)c2c(O)cc(O)cc2o1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
