Glycoside
GD146198
Name:
5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl 3-{4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}prop-2-enoateFormula:
C30H26O13Smiles:
O=C(C=Cc1ccc(O)c(C2OC(CO)C(O)C(O)C2O)c1)Oc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1OAglycone:
O=C(C=Cc1ccc(O)cc1)Oc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.2 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 594.53 | Num_heavy_atoms: | 43 |
| TPSA: | 227.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD58636
Formula: C24H16O8
Smiles:
O=C(C=Cc1ccc(O)cc1)Oc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.38 | Num_heavy_atoms: | 32 |
| TPSA: | 137.43 | NumAromaticRings: | 4 |
