Glycoside
GD149758
Name:
2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl 2-(1-hydroxy-4-oxocyclohexyl)acetateFormula:
C35H40O19Smiles:
CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(OC(=O)CC3(O)CCC(=O)CC3)C(O)C2O)C(O)C(O)C1OAglycone:
O=C(O)CC1(O)CCC(=O)CC1.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.51 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 764.69 | Num_heavy_atoms: | 54 |
| TPSA: | 312.8 | 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 |
AD59868
Formula: C8H12O4
Smiles:
O=C(O)CC1(O)CCC(=O)CC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 172.18 | Num_heavy_atoms: | 12 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
