Glycoside
GD143208
Name:
NoneFormula:
C63H102O26N2Smiles:
C=C(C(=O)CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(OC2OCC(OC4OC(CO)C(O)C(O)C4N=C(C)O)C(O)C2OC2OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C2N=C(C)O)C(C)(C)C1CC3)C(C)CAglycone:
C=C(C(=O)CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)CSugarmoiety:
CC(O)=NC1C(OC2COC(O)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3N=C(C)O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 9 |
| HBD: | 15 | FractionCSP3: | 0.89 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 21 |
| MolWt: | 1303.5 | Num_heavy_atoms: | 91 |
| TPSA: | 437.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD57605
Formula: C30H48O2
Smiles:
C=C(C(=O)CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 7.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.71 | Num_heavy_atoms: | 32 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
Sugarmoiety
SD04546
CC(O)=NC1C(OC2COC(O)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3N=C(C)O)C2O)OC(CO)C(O)C1O