Glycoside
GD001757
Name:
NoneFormula:
C18H31O12N2SSmiles:
CC(=O)NC1C(N)CC(SC(C)C2OC(O)C(O)C(O)C2O)(C(=O)[O-])OC1[C@H](O)[C@H](O)COAglycone:
CCSC1(C(=O)[O-])CC(N)C(NC(C)=O)C(C(O)C(O)CO)O1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.89 |
| AlogP: | -6.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 499.52 | Num_heavy_atoms: | 33 |
| TPSA: | 255.32 | NumAromaticRings: | 0 |
Unique Aglycone
AD01726
Formula: C13H23O7N2S
Smiles:
CCSC1(C(=O)[O-])CC(N)C(NC(C)=O)C(C(O)C(O)CO)O1| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | -3.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 351.4 | Num_heavy_atoms: | 23 |
| TPSA: | 165.17 | NumAromaticRings: | 0 |
