Glycoside
GD138684
Name:
N-({3,4-dihydroxy-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-yl}methyl)benzamideFormula:
C24H29O5N3Smiles:
O=C(CC1OC(CN=C(O)c2ccccc2)C(O)C1O)N1CCN(c2ccccc2)CC1Aglycone:
CC(=O)N1CCN(c2ccccc2)CC1.CN=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 439.51 | Num_heavy_atoms: | 32 |
| TPSA: | 105.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD21283
Formula: C12H16ON2
Smiles:
CC(=O)N1CCN(c2ccccc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 204.27 | Num_heavy_atoms: | 15 |
| TPSA: | 23.55 | 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 |
