Glycoside
GD096351
Name:
NoneFormula:
C20H31O9N2SSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N[C@H]2CSC3(C[NH2+]C3)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NC1CSC2(C[NH2+]C2)C1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 475.54 | Num_heavy_atoms: | 32 |
| TPSA: | 143.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD40977
Formula: C6H13N2S
Smiles:
NC1CSC2(C[NH2+]C2)C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 0 |
| MolWt: | 145.25 | Num_heavy_atoms: | 9 |
| TPSA: | 42.63 | NumAromaticRings: | 0 |
