Glycoside
GD034375
Name:
NoneFormula:
C25H28O5N8Cl2SSmiles:
CCNC(=O)NC[C@@H]1O[C@H](n2c(SCC(=O)NCCc3ccc(Cl)c(Cl)c3)nc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC(=O)NC.Nc1ncnc2c1N=C(SCC(=O)NCCc1ccc(Cl)c(Cl)c1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 599.5 | Num_heavy_atoms: | 39 |
| TPSA: | 189.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD02213
Formula: C17H13ON6Cl2S
Smiles:
Nc1ncnc2c1N=C(SCC(=O)NCCc1ccc(Cl)c(Cl)c1)[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 396.28 | Num_heavy_atoms: | 25 |
| TPSA: | 107.36 | NumAromaticRings: | 2 |
AD21861
Formula: C4H10ON2
Smiles:
CCNC(=O)NC| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 102.14 | Num_heavy_atoms: | 7 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
