Glycoside
GD149115
Name:
N-{[5-({[2-(dimethylamino)ethyl]carbamoyl}methyl)-3,4-dihydroxyoxolan-2-yl]methyl}-2H-1,3-benzodioxole-5-carboxamideFormula:
C19H27O7N3Smiles:
CN(C)CCN=C(O)CC1OC(CN=C(O)c2ccc3c(c2)OCO3)C(O)C1OAglycone:
CC(O)=NCCN(C)C.CN=C(O)c1ccc2c(c1)OCO2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 409.44 | Num_heavy_atoms: | 29 |
| TPSA: | 136.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD45401
Formula: C6H14ON2
Smiles:
CC(O)=NCCN(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 130.19 | Num_heavy_atoms: | 9 |
| TPSA: | 35.83 | 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 |
