Glycoside
GD137924
Name:
NoneFormula:
C61H92O23N2Smiles:
C=C1C(OO)CC(OC2CC(C)([NH+]([O-])O)C(N=C(O)OC)C(C)O2)C(C)=CC2C=C(CO)C(C)CC23OC(=O)C(=C3O)C(=O)C2(C)C1C=CC1C(OC3CC(OC4CC(C)C(OC5CC(O)C(OC)C(C)O5)C(O)O4)C(O)C(C)O3)C(C)CC(C)C12Aglycone:
C=C1C(OO)CC(OC2CC(C)([NH+]([O-])O)C(N=C(O)OC)C(C)O2)C(C)=CC2C=C(CO)C(C)CC23OC(=O)C(=C3O)C(=O)C2(C)C1C=CC1C(O)C(C)CC(C)C12Sugarmoiety:
COC1C(O)CC(OC2C(C)CC(OC3CC(O)OC(C)C3O)OC2O)OC1COther Identifiers
Properties
| HBA: | 25 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.79 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 13 |
| MolWt: | 1221.4 | Num_heavy_atoms: | 86 |
| TPSA: | 346.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD55697
Formula: C42H60O14N2
Smiles:
C=C1C(OO)CC(OC2CC(C)([NH+]([O-])O)C(N=C(O)OC)C(C)O2)C(C)=CC2C=C(CO)C(C)CC23OC(=O)C(=C3O)C(=O)C2(C)C1C=CC1C(O)C(C)CC(C)C12| HBA: | 16 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 816.94 | Num_heavy_atoms: | 58 |
| TPSA: | 241.53 | NumAromaticRings: | 0 |
