Glycoside
GD139079
Name:
N-{[3,4-dihydroxy-5-({[(pyridin-3-yl)methyl]carbamoyl}methyl)oxolan-2-yl]methyl}benzamideFormula:
C20H23O5N3Smiles:
OC(CC1OC(CN=C(O)c2ccccc2)C(O)C1O)=NCc1cccnc1Aglycone:
CC(O)=NCc1cccnc1.CN=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 385.42 | Num_heavy_atoms: | 28 |
| TPSA: | 127.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD46357
Formula: C8H10ON2
Smiles:
CC(O)=NCc1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 45.48 | NumAromaticRings: | 1 |
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 |
