Glycoside
GD145036
Name:
NoneFormula:
C42H47O19N3Smiles:
NC1C=CC(C2C=C(NC3CCCC3)C3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C(O)C3O)=CN1Aglycone:
NC1C=CC(C2C=C(NC3CCCC3)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)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 15 | FractionCSP3: | 0.45 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 897.84 | Num_heavy_atoms: | 64 |
| TPSA: | 373.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD58244
Formula: C36H39O13N3
Smiles:
NC1C=CC(C2C=C(NC3CCCC3)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: | 0.39 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 721.72 | Num_heavy_atoms: | 52 |
| TPSA: | 277.66 | NumAromaticRings: | 3 |
