Glycoside
GD014871
Name:
2-{[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-3-yl]methoxy}-6-methyloxane-3,4,5-triolFormula:
C28H38O12Smiles:
COc1cc(C[C@@H]2CO[C@H](c3cc(OC)c(O)c(OC)c3)[C@H]2CO[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1OAglycone:
COc1cc(CC2COC(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 566.6 | Num_heavy_atoms: | 40 |
| TPSA: | 165.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD10896
Formula: C22H28O8
Smiles:
COc1cc(CC2COC(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 420.46 | Num_heavy_atoms: | 30 |
| TPSA: | 106.84 | NumAromaticRings: | 2 |
