Glycoside
GD111323
Name:
NoneFormula:
C29H21O7N3Cl2Smiles:
CO[C@H]1[C@@H](O)[C@@H](O)[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)NC4=O)O[C@@H]1COAglycone:
O=C1NC(=O)c2c1c1c3cccc(Cl)c3[nH]c1c1[nH]c3c(Cl)cccc3c21Sugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 570.39 | Num_heavy_atoms: | 39 |
| TPSA: | 146.04 | NumAromaticRings: | 5 |
Unique Aglycone
AD00980
Formula: C22H9O2N3Cl2
Smiles:
O=C1NC(=O)c2c1c1c3cccc(Cl)c3[nH]c1c1[nH]c3c(Cl)cccc3c21| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 394.22 | Num_heavy_atoms: | 27 |
| TPSA: | 77.75 | NumAromaticRings: | 5 |
