Glycoside
GD155958
Name:
NoneFormula:
C71H134O24N2Smiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1OC1OC(COC2OC(COC3OC(C(C)O)C(O)C3O)C(O)C(O)C2N=C(C)O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCCCCCSugarmoiety:
CC(O)=NC1C(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(O)C(O)C2O)OC(COC2OC(C(C)O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 4 |
| HBD: | 16 | FractionCSP3: | 0.97 |
| AlogP: | 6.17 | Num_rotatable_bonds: | 55 |
| MolWt: | 1399.84 | Num_heavy_atoms: | 97 |
| TPSA: | 422.24 | NumAromaticRings: | 0 |
Unique Aglycone
AD51496
Formula: C45H91O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCCCCC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.98 |
| AlogP: | 12.86 | Num_rotatable_bonds: | 42 |
| MolWt: | 726.22 | Num_heavy_atoms: | 51 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
Sugarmoiety
SD04335
CC(O)=NC1C(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(O)C(O)C2O)OC(COC2OC(C(C)O)C(O)C2O)C(O)C1O