Glycoside
GD130065
Name:
NoneFormula:
C39H60O14Smiles:
CC(C)CC(=O)CC(C)C1=C(O)C(=O)C2C3CCC4CC(OC5OC(C(=O)O)C(OC6OC(C)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(C)CC(=O)CC(C)C1=C(O)C(=O)C2C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.87 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 752.9 | Num_heavy_atoms: | 53 |
| TPSA: | 229.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD02879
Formula: C27H42O4
Smiles:
CC(C)CC(=O)CC(C)C1=C(O)C(=O)C2C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 5.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
