Glycoside
GD011239
Name:
NoneFormula:
C23H40O12N6SSmiles:
NC[C@@H]1O[C@H](OC[C@@H]2O[C@H](OCCSC[C@@H]3O[C@H](n4ccc(N)nc4=O)[C@H](O)[C@H]3O)[C@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@H](O)[C@H]1OAglycone:
CSCCO.Nc1cc[nH]c(=O)n1Sugarmoiety:
NCC1OC(OCC2OC(OCO)C(N)C(O)C2O)C(N)C(O)C1O.OC1OOC(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.83 |
| AlogP: | -6.28 | Num_rotatable_bonds: | 11 |
| MolWt: | 624.67 | Num_heavy_atoms: | 42 |
| TPSA: | 306.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD03642
Formula: C3H8OS
Smiles:
CSCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 92.16 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
