Glycoside
GD142152
Name:
4-[(6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxobutanoic acidFormula:
C25H24O15Smiles:
O=C(O)CC(=O)COCC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1OAglycone:
COCC(=O)CC(=O)O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 564.45 | Num_heavy_atoms: | 40 |
| TPSA: | 253.88 | 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 |
AD55015
Formula: C5H8O4
Smiles:
COCC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 132.12 | Num_heavy_atoms: | 9 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
