Glycoside
GD025515
Name:
NoneFormula:
C58H68O12N6Cl4Smiles:
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(NC(=O)CCOCCOCCOCCNC(=O)[C@@H](O)[C@@H](O)C(=O)NCCOCCOCCOCCC(=O)Nc3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1Aglycone:
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(NC(=O)CCOCCOCCOCCN)c2)C1.CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(NC(=O)CCOCCOCCOCCN)c2)C1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 5.87 | Num_rotatable_bonds: | 31 |
| MolWt: | 1134.98 | Num_heavy_atoms: | 76 |
| TPSA: | 218.72 | NumAromaticRings: | 4 |
Unique Aglycone
AD16911
Formula: C27H33O4N3Cl2
Smiles:
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(NC(=O)CCOCCOCCOCCN)c2)C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 13 |
| MolWt: | 510.46 | Num_heavy_atoms: | 34 |
| TPSA: | 86.05 | NumAromaticRings: | 2 |
