Glycoside
GD099042
Name:
NoneFormula:
C19H32O9N3SSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC(=S)NCC[NH+](C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.C[NH+](C)CCNC(N)=SSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 478.54 | Num_heavy_atoms: | 32 |
| TPSA: | 142.93 | 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 |
AD42160
Formula: C5H14N3S
Smiles:
C[NH+](C)CCNC(N)=S| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 148.26 | Num_heavy_atoms: | 9 |
| TPSA: | 42.49 | NumAromaticRings: | 0 |
