Glycoside
GD122506
Name:
MarsinFormula:
C27H42O7Smiles:
CC(=O)C1CCC2(O)C3CC=C4CC(OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(=O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 478.63 | Num_heavy_atoms: | 34 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD49374
Formula: C21H32O3
Smiles:
CC(=O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 332.48 | Num_heavy_atoms: | 24 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
