Glycoside
GD092085
Name:
NoneFormula:
C19H31O4N6SSmiles:
CC(C)CSC[C@H]1O[C@@H](n2cnc3c(NC[C@@]4(O)CC[NH2+]C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CSCC(C)C.OC1(CNc2ncnc3c2N=C[N]3)CC[NH2+]C1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.74 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 439.56 | Num_heavy_atoms: | 30 |
| TPSA: | 142.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD00748
Formula: C5H12S
Smiles:
CSCC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 104.22 | Num_heavy_atoms: | 6 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD40205
Formula: C10H14ON6
Smiles:
OC1(CNc2ncnc3c2N=C[N]3)CC[NH2+]C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 234.26 | Num_heavy_atoms: | 17 |
| TPSA: | 101.11 | NumAromaticRings: | 1 |
