Glycoside
GD117511
Name:
NoneFormula:
C53H82O23Smiles:
C=C(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(OC4OCC(O)C(O)C4OC4OC(CO)C(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)C4O)C5(C)C)C2(C)CC(=O)C13Aglycone:
C=C(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CC(=O)C13Sugarmoiety:
OCC1OC(OC2C(O)C(CO)OC(OC3C(CO)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.89 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 15 |
| MolWt: | 1087.22 | Num_heavy_atoms: | 76 |
| TPSA: | 359.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD00886
Formula: C30H44O4
Smiles:
C=C(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CC(=O)C13| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 6.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 468.68 | Num_heavy_atoms: | 34 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
