Glycoside
GD149885
Name:
2,3-dihydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl 3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoateFormula:
C30H26O15Smiles:
O=C(C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)Oc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O)c1OAglycone:
O=C(C=Cc1ccc(O)cc1)Oc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.2 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 626.52 | Num_heavy_atoms: | 45 |
| TPSA: | 257.04 | NumAromaticRings: | 4 |
Unique Aglycone
AD59909
Formula: C24H16O10
Smiles:
O=C(C=Cc1ccc(O)cc1)Oc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O)c1O| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 464.38 | Num_heavy_atoms: | 34 |
| TPSA: | 177.89 | NumAromaticRings: | 4 |
