Glycoside
GD148124
Name:
{3,4,5-trihydroxy-6-[(6-hydroxy-2-oxo-2H-chromen-7-yl)oxy]oxan-2-yl}methyl 2-(4-hydroxyphenyl)acetateFormula:
C23H22O11Smiles:
O=C(Cc1ccc(O)cc1)OCC1OC(Oc2cc3oc(=O)ccc3cc2O)C(O)C(O)C1OAglycone:
COC(=O)Cc1ccc(O)cc1.O=c1ccc2cc(O)c(O)cc2o1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 474.42 | Num_heavy_atoms: | 34 |
| TPSA: | 176.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD02427
Formula: C9H10O3
Smiles:
COC(=O)Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD03223
Formula: C9H6O4
Smiles:
O=c1ccc2cc(O)c(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.14 | Num_heavy_atoms: | 13 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
