Glycoside
GD132548
Name:
NoneFormula:
C37H40O19N2Smiles:
NC1C=CC(C2CCC3(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(C2CCC3(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: | 21 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.43 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 816.72 | Num_heavy_atoms: | 58 |
| TPSA: | 361.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD48446
Formula: C31H32O13N2
Smiles:
NC1C=CC(C2CCC3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)=CN1| HBA: | 15 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.35 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 640.6 | Num_heavy_atoms: | 46 |
| TPSA: | 265.63 | NumAromaticRings: | 3 |
