Glycoside
GD001247
Name:
NoneFormula:
C29H23O6N3Cl2Smiles:
CO[C@@H]1[C@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)NC4)[C@H](O)[C@H]1OAglycone:
O=C1NCc2c1c1c3cccc(Cl)c3[nH]c1c1[nH]c3c(Cl)cccc3c21Sugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 556.4 | Num_heavy_atoms: | 38 |
| TPSA: | 128.97 | NumAromaticRings: | 5 |
Unique Aglycone
AD01287
Formula: C22H11ON3Cl2
Smiles:
O=C1NCc2c1c1c3cccc(Cl)c3[nH]c1c1[nH]c3c(Cl)cccc3c21| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 5.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 380.23 | Num_heavy_atoms: | 26 |
| TPSA: | 60.68 | NumAromaticRings: | 5 |
