Glycoside
GD149827
Name:
Gynoside EFormula:
C41H68O13Smiles:
CC12CCC(C(C)(C)O)(OC3CC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C4(C)CCC1C34)O2Aglycone:
CC12CCC(C(C)(C)O)(OC3CC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C4(C)CCC1C34)O2Sugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 768.98 | Num_heavy_atoms: | 54 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD51428
Formula: C30H50O4
Smiles:
CC12CCC(C(C)(C)O)(OC3CC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C4(C)CCC1C34)O2| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 6.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
