Glycoside
GD012657
Name:
ACEROSIDE IIIFormula:
C30H40O12Smiles:
OC[C@]1(O)CO[C@H](OC[C@@H]2O[C@H](O[C@@H]3CCCCc4ccc(O)c(c4)Oc4ccc(cc4)CC3)[C@H](O)[C@H](O)[C@H]2O)[C@H]1OAglycone:
Oc1ccc2cc1Oc1ccc(cc1)CCC(O)CCCC2Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 592.64 | Num_heavy_atoms: | 42 |
| TPSA: | 187.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD09524
Formula: C19H22O3
Smiles:
Oc1ccc2cc1Oc1ccc(cc1)CCC(O)CCCC2| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 298.38 | Num_heavy_atoms: | 22 |
| TPSA: | 49.69 | NumAromaticRings: | 2 |
