Glycoside
GD144385
Name:
NoneFormula:
C35H34O18N2Smiles:
NC1C=CC(C2C=CC3(Oc4cc5oc(-c6ccc(O)c(O)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=CC3(Oc4cc5oc(-c6ccc(O)c(O)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: | 20 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.34 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 770.65 | Num_heavy_atoms: | 55 |
| TPSA: | 341.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD58027
Formula: C29H26O12N2
Smiles:
NC1C=CC(C2C=CC3(Oc4cc5oc(-c6ccc(O)c(O)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)=CN1| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.24 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 594.53 | Num_heavy_atoms: | 43 |
| TPSA: | 245.4 | NumAromaticRings: | 3 |
