Glycoside
GD128880
Name:
NoneFormula:
C43H70O13Smiles:
CC1(C)CCC2(C(=O)OC3CC(CO)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(C(=O)OC3CC(CO)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 795.02 | Num_heavy_atoms: | 56 |
| TPSA: | 226.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD52203
Formula: C37H60O8
Smiles:
CC1(C)CCC2(C(=O)OC3CC(CO)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 8 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 632.88 | Num_heavy_atoms: | 45 |
| TPSA: | 147.68 | NumAromaticRings: | 0 |
