Glycoside
GD143826
Name:
3,4,5-trihydroxy-6-[(1-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-1-oxopropan-2-yl)oxy]oxane-2-carboxylic acidFormula:
C24H22O13Smiles:
CC(OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1Aglycone:
CC(O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 518.43 | Num_heavy_atoms: | 37 |
| TPSA: | 213.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD49299
Formula: C18H14O7
Smiles:
CC(O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 342.3 | Num_heavy_atoms: | 25 |
| TPSA: | 117.2 | NumAromaticRings: | 3 |
