Glycoside
GD136750
Name:
NoneFormula:
C42H70O14Smiles:
CC(C)C(C)C(O)C(O)C(C)C1CCC2C3=C(CCC21C)C1(C)CCC(OC2OC(COC4OC(C(=O)O)C(O)C(O)C4O)C(O)C(O)C2O)C(C)(C)C1CC3Aglycone:
CC(C)C(C)C(O)C(O)C(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3Sugarmoiety:
O=C(O)C1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 11 |
| MolWt: | 799.01 | Num_heavy_atoms: | 56 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD55278
Formula: C30H52O3
Smiles:
CC(C)C(C)C(O)C(O)C(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 460.74 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
