Glycoside
GD140713
Name:
2,5,8-trihydroxy-7-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C16H20O12Smiles:
COc1cc(O)c2c(c1O)OC(O)C(OC1OC(CO)C(O)C(O)C1O)C2=OAglycone:
COc1cc(O)c2c(c1O)OC(O)C(O)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -2.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 404.32 | Num_heavy_atoms: | 28 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD56731
Formula: C10H10O7
Smiles:
COc1cc(O)c2c(c1O)OC(O)C(O)C2=O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.18 | Num_heavy_atoms: | 17 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
