Glycoside
GD027313
Name:
NoneFormula:
C21H36O8N4S2Smiles:
NC[C@@H]1O[C@H](SCCCCCCSC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](N)[C@H](O)[C@H]1OAglycone:
CSCCCCCCSC1OC(CN)C(O)C(O)C1N.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.81 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 12 |
| MolWt: | 536.67 | Num_heavy_atoms: | 35 |
| TPSA: | 206.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD17960
Formula: C13H28O3N2S2
Smiles:
CSCCCCCCSC1OC(CN)C(O)C(O)C1N| HBA: | 5 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 324.51 | Num_heavy_atoms: | 20 |
| TPSA: | 101.73 | NumAromaticRings: | 0 |
