Glycoside
GD035544
Name:
NoneFormula:
C25H49O13N5SSmiles:
CCS[C@@H]1[C@H](CO)O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@H](N)[C@H]1OAglycone:
CCSC1C(CO)OC(OC2C(N)CC(N)C(O)C2O)C(N)C1OSugarmoiety:
NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 1.0 |
| AlogP: | -7.1 | Num_rotatable_bonds: | 11 |
| MolWt: | 659.76 | Num_heavy_atoms: | 44 |
| TPSA: | 327.09 | NumAromaticRings: | 0 |
Unique Aglycone
AD22484
Formula: C14H29O6N3S
Smiles:
CCSC1C(CO)OC(OC2C(N)CC(N)C(O)C2O)C(N)C1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -3.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 367.47 | Num_heavy_atoms: | 24 |
| TPSA: | 177.44 | NumAromaticRings: | 0 |
