Glycoside
GD131378
Name:
Udp-2,3-Bis(3-Hydroxytetradecanoyl)-D-GlucosamineFormula:
C43H77O20N3P2Smiles:
CCCCCCCCCCCC(O)CC(=O)OC1C(O)C(CO)OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(O)nc3=O)C(O)C2O)C1N=C(O)CC(O)CCCCCCCCCCCAglycone:
CCCCCCCCCCCC(O)CC(=N)O.CCCCCCCCCCCC(O)CC(=O)O.COP(=O)(O)OP(=O)(O)O.O=c1nc(O)cc[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1O.OCC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.86 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 35 |
| MolWt: | 1018.04 | Num_heavy_atoms: | 68 |
| TPSA: | 356.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD00507
Formula: C14H28O3
Smiles:
CCCCCCCCCCCC(O)CC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 12 |
| MolWt: | 244.37 | Num_heavy_atoms: | 17 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD48216
Formula: C14H29O2N
Smiles:
CCCCCCCCCCCC(O)CC(=N)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 12 |
| MolWt: | 243.39 | Num_heavy_atoms: | 17 |
| TPSA: | 64.31 | NumAromaticRings: | 0 |
