Glycoside
GD127938
Name:
5-(acetyloxy)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acidFormula:
C23H20O14Smiles:
CC(=O)OC1C(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)OC(C(=O)O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(O)OC(C(=O)O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 520.4 | Num_heavy_atoms: | 37 |
| TPSA: | 233.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD00377
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
