Glycoside
GD146128
Name:
NoneFormula:
C53H90O22Smiles:
CCC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CC(O)C12Aglycone:
CCC(C)=CCCC(C)(O)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C3CC(O)C12Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 14 | FractionCSP3: | 0.96 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 16 |
| MolWt: | 1079.28 | Num_heavy_atoms: | 75 |
| TPSA: | 357.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD58614
Formula: C30H52O3
Smiles:
CCC(C)=CCCC(C)(O)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C3CC(O)C12| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 460.74 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
