Glycoside
GD008286
Name:
NoneFormula:
C39H77O13N5SSmiles:
CCCCCCCCCCCCCCCCSC[C@@H]1O[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](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCCSC.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)OC(O)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 1.0 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 25 |
| MolWt: | 856.13 | Num_heavy_atoms: | 58 |
| TPSA: | 327.09 | NumAromaticRings: | 0 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD05572
Formula: C17H36S
Smiles:
CCCCCCCCCCCCCCCCSC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 6.83 | Num_rotatable_bonds: | 15 |
| MolWt: | 272.54 | Num_heavy_atoms: | 18 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
