Glycoside
GD136219
Name:
2-(3,4-dihydroxy-5-{[(phenylcarbamoyl)amino]methyl}oxolan-2-yl)-N-[2-(morpholin-4-yl)ethyl]acetamideFormula:
C20H30O6N4Smiles:
OC(CC1OC(CN=C(O)Nc2ccccc2)C(O)C1O)=NCCN1CCOCC1Aglycone:
CC(O)=NCCN1CCOCC1.CN=C(O)Nc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 422.48 | Num_heavy_atoms: | 30 |
| TPSA: | 139.37 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD46818
Formula: C8H10ON2
Smiles:
CN=C(O)Nc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 44.62 | NumAromaticRings: | 1 |
