Glycoside
GD133722
Name:
N-[(3,4-dihydroxy-5-{[(prop-2-yn-1-yl)carbamoyl]methyl}oxolan-2-yl)methyl]furan-2-carboxamideFormula:
C15H18O6N2Smiles:
C#CCN=C(O)CC1OC(CNC(=O)c2ccco2)C(O)C1OAglycone:
C#CCN=C(C)O.CNC(=O)c1ccco1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 322.32 | Num_heavy_atoms: | 23 |
| TPSA: | 124.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD18098
Formula: C6H7O2N
Smiles:
CNC(=O)c1ccco1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 42.24 | NumAromaticRings: | 1 |
AD45077
Formula: C5H7ON
Smiles:
C#CCN=C(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 97.12 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
