Glycoside
GD127207
Name:
2'-o-acetyl-24-epi-cimigenol-3-o-alpha-l-arabinopyranosideFormula:
C37H58O10Smiles:
CC(=O)OC1C(OC2CCC34CC35CCC3(C)C6C(C)CC7OC6(OC7C(C)(C)O)C(O)C3(C)C5CCC4C2(C)C)OCC(O)C1OAglycone:
CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3OSugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 662.86 | Num_heavy_atoms: | 47 |
| TPSA: | 144.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD12431
Formula: C30H48O5
Smiles:
CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O| HBA: | 5 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
