Glycoside
GD146580
Name:
2-(hydroxymethyl)-6-[2-methyl-5-(propan-2-yl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]oxane-3,4,5-triolFormula:
C22H34O12Smiles:
Cc1c(OC2OC(CO)C(O)C(O)C2O)cc(C(C)C)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
Cc1c(O)cc(C(C)C)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.73 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 490.5 | Num_heavy_atoms: | 34 |
| TPSA: | 198.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD53113
Formula: C10H14O2
Smiles:
Cc1c(O)cc(C(C)C)cc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 166.22 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
