Glycoside
GD114377
Name:
NoneFormula:
C54H87O21NSmiles:
CC(C)=CCCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(OC2OCC(O)C(OC4OCC(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C2OC2OC(CO)C(O)C(O)C2N=C(C)O)C(C)(C)C1CC3Aglycone:
CC(C)=CCCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3Sugarmoiety:
CC(O)=NC1C(OC2C(O)OCC(O)C2OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.89 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 16 |
| MolWt: | 1086.28 | Num_heavy_atoms: | 76 |
| TPSA: | 346.03 | NumAromaticRings: | 0 |
Unique Aglycone
AD15778
Formula: C30H48O3
Smiles:
CC(C)=CCCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 7.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
