Glycoside
GD148395
Name:
NoneFormula:
C51H80O21Smiles:
COC1C(O)C(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(O)C7(C)CCC56C)C4(C)CO)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)OC(CO)C1OC(C)=OAglycone:
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
COC1C(O)C(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)OC(CO)C1OC(C)=OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.9 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 12 |
| MolWt: | 1029.18 | Num_heavy_atoms: | 72 |
| TPSA: | 327.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD00828
Formula: C30H50O3
Smiles:
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
