Glycoside
GD012146
Name:
NoneFormula:
C24H31O8N4ClSmiles:
NC[C@@H]1O[C@H](O[C@H](CNCCc2ccc(Cl)cc2)[C@@H]2C[C@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@H]1OAglycone:
O=c1ccn(C2OC(C(O)CNCCc3ccc(Cl)cc3)CC2O)c(=O)[nH]1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 10 |
| MolWt: | 526.97 | Num_heavy_atoms: | 36 |
| TPSA: | 181.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD09176
Formula: C19H22O5N3Cl
Smiles:
O=c1ccn(C2OC(C(O)CNCCc3ccc(Cl)cc3)CC2O)c(=O)[nH]1| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 395.84 | Num_heavy_atoms: | 27 |
| TPSA: | 116.58 | NumAromaticRings: | 2 |
