Glycoside
GD137506
Name:
3-[(3,4-dihydroxy-5-{2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl}oxolan-2-yl)methyl]-1-(3-fluorophenyl)ureaFormula:
C20H28O6N3FSmiles:
COCC1CCCN1C(=O)CC1OC(CN=C(O)Nc2cccc(F)c2)C(O)C1OAglycone:
CN=C(O)Nc1cccc(F)c1.COCC1CCCN1C(C)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 425.46 | Num_heavy_atoms: | 30 |
| TPSA: | 123.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD23210
Formula: C8H15O2N
Smiles:
COCC1CCCN1C(C)=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 157.21 | Num_heavy_atoms: | 11 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
AD44877
Formula: C8H9ON2F
Smiles:
CN=C(O)Nc1cccc(F)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.17 | Num_heavy_atoms: | 12 |
| TPSA: | 44.62 | NumAromaticRings: | 1 |
