Glycoside
GD155962
Name:
7-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C28H34O16Smiles:
COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)cc3O2)cc1OAglycone:
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1OSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.54 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 626.56 | Num_heavy_atoms: | 44 |
| TPSA: | 254.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD03897
Formula: C16H14O6
Smiles:
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
