Glycoside
GD129611
Name:
2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C31H30O15Smiles:
COc1cc(C(=O)OC2C(c3c(O)c(OC)c(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)OC(CO)C(O)C2O)cc(OC)c1OAglycone:
COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O.COc1cc(C(=O)O)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 642.57 | Num_heavy_atoms: | 46 |
| TPSA: | 235.04 | NumAromaticRings: | 4 |
Unique Aglycone
AD10220
Formula: C16H12O6
Smiles:
COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
AD16068
Formula: C9H10O5
Smiles:
COc1cc(C(=O)O)cc(OC)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 198.17 | Num_heavy_atoms: | 14 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
