Glycoside
GD151083
Name:
1-cyclohexyl-3-[(3,4-dihydroxy-5-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}oxolan-2-yl)methyl]ureaFormula:
C23H35O5N5Smiles:
O=C(CC1OC(CN=C(O)NC2CCCCC2)C(O)C1O)N1CCN(c2ccccn2)CC1Aglycone:
CC(=O)N1CCN(c2ccccn2)CC1.CN=C(O)NC1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.56 | Num_heavy_atoms: | 33 |
| TPSA: | 130.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD36294
Formula: C11H15ON3
Smiles:
CC(=O)N1CCN(c2ccccn2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 205.26 | Num_heavy_atoms: | 15 |
| TPSA: | 36.44 | NumAromaticRings: | 1 |
AD45502
Formula: C8H16ON2
Smiles:
CN=C(O)NC1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.23 | Num_heavy_atoms: | 11 |
| TPSA: | 44.62 | NumAromaticRings: | 0 |
