Glycoside
GD004004
Name:
NoneFormula:
C18H32O12N2SSmiles:
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: | 11 | FractionCSP3: | 0.89 |
| AlogP: | -4.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 500.52 | Num_heavy_atoms: | 33 |
| TPSA: | 252.49 | NumAromaticRings: | 0 |
Unique Aglycone
AD03559
Formula: C13H24O7N2S
Smiles:
CCSC1(C(=O)O)CC(N)C(NC(C)=O)C(C(O)C(O)CO)O1| HBA: | 9 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 352.41 | Num_heavy_atoms: | 23 |
| TPSA: | 162.34 | NumAromaticRings: | 0 |
