Glycoside
GD024283
Name:
NoneFormula:
C21H28O10N4SSmiles:
CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(CSC4OC(CO)C(O)C(O)C4O)=C(N)C3=O)N1C[C@@H]1N[C@H]12Aglycone:
COC12C(COC(N)=O)C3=C(C(=O)C(CS)=C(N)C3=O)N1CC1NC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | -4.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 528.54 | Num_heavy_atoms: | 36 |
| TPSA: | 237.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD16221
Formula: C15H18O5N4S
Smiles:
COC12C(COC(N)=O)C3=C(C(=O)C(CS)=C(N)C3=O)N1CC1NC12| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 366.4 | Num_heavy_atoms: | 25 |
| TPSA: | 146.89 | NumAromaticRings: | 0 |
