Glycoside
GD149601
Name:
6-{[5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C23H22O14Smiles:
COc1cc(-c2oc3cc(OC)c(O)c(O)c3c(=O)c2OC2OC(C(=O)O)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(-c2oc3cc(OC)c(O)c(O)c3c(=O)c2O)ccc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 522.42 | Num_heavy_atoms: | 37 |
| TPSA: | 225.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD51130
Formula: C17H14O8
Smiles:
COc1cc(-c2oc3cc(OC)c(O)c(O)c3c(=O)c2O)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.29 | Num_heavy_atoms: | 25 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
