Glycoside
GD156904
Name:
5-({1-[(3-amino-1-{[2-({[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy}[3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methyl)-1-hydroxybutylidene]amino}-1-carboxypropan-2-yl)oxy]-1-oxohexadeca-6,10,14-trien-3-yl}oxy)-3-methyl-5-oxopentanoic acidFormula:
C44H67O18N5Smiles:
CC=CCCC=CCCC=CCCC(CC(=O)OC(CN)C(N=C(O)C(CC)C(OC1OC(CN)C(O)C1O)C1OC(n2ccc(O)nc2=O)C(O)C1O)C(=O)O)OC(=O)CC(C)CC(=O)OAglycone:
CC=CCCC=CCCC=CCCC(CC(=O)OC(CN)C(N=C(O)C(CC)CO)C(=O)O)OC(=O)CC(C)CC(=O)O.O=c1nc(O)cc[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.66 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 29 |
| MolWt: | 954.04 | Num_heavy_atoms: | 67 |
| TPSA: | 375.56 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD62083
Formula: C31H50O10N2
Smiles:
CC=CCCC=CCCC=CCCC(CC(=O)OC(CN)C(N=C(O)C(CC)CO)C(=O)O)OC(=O)CC(C)CC(=O)O| HBA: | 12 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 24 |
| MolWt: | 610.75 | Num_heavy_atoms: | 43 |
| TPSA: | 206.04 | NumAromaticRings: | 0 |
