Glycoside
GD103065
Name:
NoneFormula:
C20H30O7N2S2Smiles:
CCOC(=O)c1c(NC(=S)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)sc2c1CCCC2Aglycone:
CCOC(=O)c1c(NC(=S)NCCO)sc2c1CCCC2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 474.6 | Num_heavy_atoms: | 31 |
| TPSA: | 129.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD43609
Formula: C14H20O3N2S2
Smiles:
CCOC(=O)c1c(NC(=S)NCCO)sc2c1CCCC2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 328.46 | Num_heavy_atoms: | 21 |
| TPSA: | 70.59 | NumAromaticRings: | 1 |
