Glycoside
GD115522
Name:
N-{[3,4-dihydroxy-5-({[2-(morpholin-4-yl)ethyl]carbamoyl}methyl)oxolan-2-yl]methyl}-4-methylbenzamideFormula:
C21H31O6N3Smiles:
Cc1ccc(C(=O)NCC2OC(CC(O)=NCCN3CCOCC3)C(O)C2O)cc1Aglycone:
CC(O)=NCCN1CCOCC1.CNC(=O)c1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 8 |
| MolWt: | 421.49 | Num_heavy_atoms: | 30 |
| TPSA: | 123.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD21339
Formula: C9H11ON
Smiles:
CNC(=O)c1ccc(C)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD45716
Formula: C8H16O2N2
Smiles:
CC(O)=NCCN1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 172.23 | Num_heavy_atoms: | 12 |
| TPSA: | 45.06 | NumAromaticRings: | 0 |
