Glycoside
GD011948
Name:
NoneFormula:
C28H19O7N3Cl2Smiles:
O=C1NC(=O)c2c1c1c3cccc(Cl)c3[nH]c1c1c2c2cccc(Cl)c2n1C1OC(CO)C(O)C(O)C1OAglycone:
O=C1NC(=O)c2c1c1c3cccc(Cl)c3[nH]c1c1[nH]c3c(Cl)cccc3c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.23 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 556.36 | Num_heavy_atoms: | 38 |
| TPSA: | 157.04 | 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 |
