Glycoside
GD133801
Name:
N-cyclopropyl-2-(5-{[N-({5-[(cyclopropylcarbamoyl)methyl]-3,4-dihydroxyoxolan-2-yl}methyl)methanesulfonamido]methyl}-3,4-dihydroxyoxolan-2-yl)acetamideFormula:
C21H35O10N3SSmiles:
CS(=O)(=O)N(CC1OC(CC(O)=NC2CC2)C(O)C1O)CC1OC(CC(O)=NC2CC2)C(O)C1OAglycone:
CC(O)=NC1CC1.CC(O)=NC1CC1.CN(C)S(C)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 11 |
| MolWt: | 521.59 | 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 |
AD45667
Formula: C5H9ON
Smiles:
CC(O)=NC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
