Glycoside
GD035496
Name:
NoneFormula:
C35H40O7N6Cl2SSmiles:
O=C(NC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c1ccn(Cc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)n1Aglycone:
CNC(=O)c1ccn(Cc2cc(Cl)c(CN3CSCC3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)n1Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 13 |
| MolWt: | 735.69 | Num_heavy_atoms: | 49 |
| TPSA: | 174.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD22454
Formula: C30H30O2N6Cl2S
Smiles:
CNC(=O)c1ccn(Cc2cc(Cl)c(CN3CSCC3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)n1| HBA: | 8 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.39 |
| AlogP: | 4.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 585.56 | Num_heavy_atoms: | 39 |
| TPSA: | 73.71 | NumAromaticRings: | 3 |
