Glycoside
GD145259
Name:
N-({3,4-dihydroxy-5-[2-(morpholin-4-yl)-2-oxoethyl]oxolan-2-yl}methyl)-2H-1,3-benzodioxole-5-carboxamideFormula:
C19H24O8N2Smiles:
O=C(CC1OC(CN=C(O)c2ccc3c(c2)OCO3)C(O)C1O)N1CCOCC1Aglycone:
CC(=O)N1CCOCC1.CN=C(O)c1ccc2c(c1)OCO2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 408.41 | Num_heavy_atoms: | 29 |
| TPSA: | 130.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD24899
Formula: C6H11O2N
Smiles:
CC(=O)N1CCOCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 129.16 | Num_heavy_atoms: | 9 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
AD55647
Formula: C9H9O3N
Smiles:
CN=C(O)c1ccc2c(c1)OCO2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 179.17 | Num_heavy_atoms: | 13 |
| TPSA: | 51.05 | NumAromaticRings: | 1 |
