Glycoside
GD124666
Name:
2-[5-({N-[(3,4-dihydroxy-5-{[(propan-2-yl)carbamoyl]methyl}oxolan-2-yl)methyl]methanesulfonamido}methyl)-3,4-dihydroxyoxolan-2-yl]-N-(propan-2-yl)acetamideFormula:
C21H39O10N3SSmiles:
CC(C)N=C(O)CC1OC(CN(CC2OC(CC(O)=NC(C)C)C(O)C2O)S(C)(=O)=O)C(O)C1OAglycone:
CC(O)=NC(C)C.CC(O)=NC(C)C.CN(C)S(C)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 11 |
| MolWt: | 525.62 | Num_heavy_atoms: | 35 |
| TPSA: | 201.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD44099
Formula: C3H9O2NS
Smiles:
CN(C)S(C)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.18 | Num_heavy_atoms: | 7 |
| TPSA: | 37.38 | NumAromaticRings: | 0 |
AD45654
Formula: C5H11ON
Smiles:
CC(O)=NC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
