Glycoside
GD146043
Name:
(6-{[2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C31H28O15Smiles:
COc1cc(O)c2c(=O)c(OC3OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc2c1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.23 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 640.55 | Num_heavy_atoms: | 46 |
| TPSA: | 246.04 | NumAromaticRings: | 4 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD20358
Formula: C16H12O8
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
