Glycoside
GD122579
Name:
NoneFormula:
C35H38O19N2Smiles:
NC1C=CC(Cc2c(OC3OC(C(=O)OC4OC(C(=O)O)C(O)C(O)C4O)C(O)C(O)C3O)cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)=CN1Aglycone:
NC1C=CC(Cc2c(O)cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)=CN1Sugarmoiety:
O=C(OC1OC(C(=O)O)C(O)C(O)C1O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.4 |
| AlogP: | -3.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 790.68 | Num_heavy_atoms: | 56 |
| TPSA: | 361.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD49407
Formula: C23H22O7N2
Smiles:
NC1C=CC(Cc2c(O)cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)=CN1| HBA: | 9 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.17 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 438.44 | Num_heavy_atoms: | 32 |
| TPSA: | 169.41 | NumAromaticRings: | 3 |
