Glycoside
GD034286
Name:
2-{[2,5-bis(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methoxy}oxane-3,4,5-triolFormula:
C27H36O13Smiles:
COc1cc([C@H]2O[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H](CO)[C@H]2CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1OAglycone:
COc1cc(C2OC(c3cc(OC)c(O)c(OC)c3)C(CO)C2CO)cc(OC)c1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 10 |
| MolWt: | 568.57 | Num_heavy_atoms: | 40 |
| TPSA: | 185.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD07747
Formula: C22H28O9
Smiles:
COc1cc(C2OC(c3cc(OC)c(O)c(OC)c3)C(CO)C2CO)cc(OC)c1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 436.46 | Num_heavy_atoms: | 31 |
| TPSA: | 127.07 | NumAromaticRings: | 2 |
