Glycoside
GD010371
Name:
NoneFormula:
C24H41O12N5SSmiles:
Cc1cn([C@@H]2C[C@H](O)[C@H](CSCCO[C@@H]3O[C@H](CO[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)[C@H](O)[C@H](O)[C@H]3N)O2)c(=O)[nH]c1=OAglycone:
Cc1cn(C2CC(O)C(CSCCO)O2)c(=O)[nH]c1=OSugarmoiety:
NCC1OC(OCC2OC(O)C(N)C(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.83 |
| AlogP: | -5.23 | Num_rotatable_bonds: | 11 |
| MolWt: | 623.68 | Num_heavy_atoms: | 42 |
| TPSA: | 280.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD08020
Formula: C12H18O5N2S
Smiles:
Cc1cn(C2CC(O)C(CSCCO)O2)c(=O)[nH]c1=O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 302.35 | Num_heavy_atoms: | 20 |
| TPSA: | 104.55 | NumAromaticRings: | 1 |
