Glycoside
GD121059
Name:
N-{[5-({[2-(dimethylamino)ethyl]carbamoyl}methyl)-3,4-dihydroxyoxolan-2-yl]methyl}benzamideFormula:
C18H27O5N3Smiles:
CN(C)CCN=C(O)CC1OC(CN=C(O)c2ccccc2)C(O)C1OAglycone:
CC(O)=NCCN(C)C.CN=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 365.43 | Num_heavy_atoms: | 26 |
| TPSA: | 118.11 | 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 |
AD47599
Formula: C8H9ON
Smiles:
CN=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
