Glycoside
GD116310
Name:
NoneFormula:
C44H47O20N3Smiles:
NC1C=CC(C2C=C(Cc3ccc[nH]3)C3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)OC2OC(CCO)(C(=O)O)C(O)C(O)C2O)C(O)C(O)C3O)=CN1Aglycone:
NC1C=CC(C2C=C(Cc3ccc[nH]3)C3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)=CN1Sugarmoiety:
O=C(O)C1(CCO)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 8 |
| HBD: | 16 | FractionCSP3: | 0.39 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 11 |
| MolWt: | 937.86 | Num_heavy_atoms: | 67 |
| TPSA: | 397.87 | NumAromaticRings: | 4 |
Unique Aglycone
AD46158
Formula: C36H35O13N3
Smiles:
NC1C=CC(C2C=C(Cc3ccc[nH]3)C3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)=CN1| HBA: | 16 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.28 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 717.68 | Num_heavy_atoms: | 52 |
| TPSA: | 281.42 | NumAromaticRings: | 4 |
