Glycoside
GD008733
Name:
NoneFormula:
C16H20O5N2S3Smiles:
OC[C@@H]1O[C@H](Sc2nc3sc4c(c3c(=S)[nH]2)CCCC4)[C@H](O)[C@H](O)[C@H]1OAglycone:
S=c1[nH]c(S)nc2sc3c(c12)CCCC3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 416.55 | Num_heavy_atoms: | 26 |
| TPSA: | 118.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD00531
Formula: C10H10N2S3
Smiles:
S=c1[nH]c(S)nc2sc3c(c12)CCCC3| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 254.4 | Num_heavy_atoms: | 15 |
| TPSA: | 28.68 | NumAromaticRings: | 2 |
