Glycoside
GD029252
Name:
NoneFormula:
C21H19O4N3Cl2Smiles:
OC[C@@H]1OC(n2c(NC3CC3)nc3cc4cc(Cl)c(Cl)cc4cc32)[C@H](O)[C@H]1OAglycone:
Clc1cc2cc3c(cc2cc1Cl)N=C(NC1CC1)[N]3Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 424.28 | Num_heavy_atoms: | 28 |
| TPSA: | 99.77 | NumAromaticRings: | 3 |
Unique Aglycone
AD19052
Formula: C16H10N3Cl2
Smiles:
Clc1cc2cc3c(cc2cc1Cl)N=C(NC1CC1)[N]3| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 291.16 | Num_heavy_atoms: | 19 |
| TPSA: | 38.49 | NumAromaticRings: | 2 |
