Glycoside
GD128102
Name:
NoneFormula:
C35H33O18N2Smiles:
Nc1ccc(C2CCC3(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:
Nc1ccc(C2CCC3(Oc4cc5oc(-c6ccc([O-])c(O)c6)cc(=[OH+])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: | 11 | FractionCSP3: | 0.37 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 769.65 | Num_heavy_atoms: | 55 |
| TPSA: | 348.14 | NumAromaticRings: | 4 |
Unique Aglycone
AD51891
Formula: C29H26O12N2
Smiles:
Nc1ccc(C2CCC3(Oc4cc5oc(-c6ccc([O-])c(O)c6)cc(=[OH+])c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)cn1| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.28 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 594.53 | Num_heavy_atoms: | 43 |
| TPSA: | 253.42 | NumAromaticRings: | 4 |
