Glycoside
GD146992
Name:
NoneFormula:
C37H36O19N2Smiles:
N=c1ccc(C2C=CC3(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)c[nH]1Aglycone:
N=c1ccc(C2C=CC3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)c[nH]1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.35 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 812.69 | Num_heavy_atoms: | 58 |
| TPSA: | 363.44 | NumAromaticRings: | 4 |
Unique Aglycone
AD58887
Formula: C31H28O13N2
Smiles:
N=c1ccc(C2C=CC3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)c[nH]1| HBA: | 15 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.26 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 636.57 | Num_heavy_atoms: | 46 |
| TPSA: | 267.22 | NumAromaticRings: | 4 |
