Glycoside
GD003120
Name:
NoneFormula:
C21H32O14N2SSmiles:
CC(=O)OCC1OC(N2C(=S)N[C@H]([C@H](O)[C@H](O)[C@H](O)CO)[C@H]2O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.OC1CNC(=S)N1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | -3.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 568.55 | Num_heavy_atoms: | 38 |
| TPSA: | 230.85 | 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 |
AD02868
Formula: C3H6ON2S
Smiles:
OC1CNC(=S)N1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 118.16 | Num_heavy_atoms: | 7 |
| TPSA: | 44.29 | NumAromaticRings: | 0 |
