Glycoside
GD122340
Name:
NoneFormula:
C35H32O18N2Smiles:
N=c1ccc(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)c[nH]1Aglycone:
N=c1ccc(C2C=CC3(Oc4cc5oc(-c6ccc(O)c(O)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: | 20 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.31 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 768.64 | Num_heavy_atoms: | 55 |
| TPSA: | 343.21 | NumAromaticRings: | 4 |
Unique Aglycone
AD49290
Formula: C29H24O12N2
Smiles:
N=c1ccc(C2C=CC3(Oc4cc5oc(-c6ccc(O)c(O)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)c[nH]1| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.21 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 592.51 | Num_heavy_atoms: | 43 |
| TPSA: | 246.99 | NumAromaticRings: | 4 |
