Glycoside
GD016998
Name:
2-{4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H40O13Smiles:
COc1cc(C[C@H](CO)[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1OAglycone:
COc1cc(CC(CO)C(CO)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 14 |
| MolWt: | 584.62 | Num_heavy_atoms: | 41 |
| TPSA: | 196.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD12179
Formula: C22H30O8
Smiles:
COc1cc(CC(CO)C(CO)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 11 |
| MolWt: | 422.47 | Num_heavy_atoms: | 30 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
