Glycoside
GD149208
Name:
NoneFormula:
C50H80O27Smiles:
C=C1CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2CCC1(OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O)C3Aglycone:
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(O)C3Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 9 |
| HBD: | 16 | FractionCSP3: | 0.94 |
| AlogP: | -6.26 | Num_rotatable_bonds: | 14 |
| MolWt: | 1113.16 | Num_heavy_atoms: | 77 |
| TPSA: | 433.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD00064
Formula: C20H30O3
Smiles:
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(O)C3| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
Sugarmoiety
SD09644
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1O