Glycoside
GD145892
Name:
5-bromo-1-(3,4-dihydroxy-5-{[tris(4-methylphenyl)methoxy]methyl}oxolan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dioneFormula:
C31H31O6N2BrSmiles:
Cc1ccc(C(OCC2OC(n3cc(Br)c(O)nc3=O)C(O)C2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1Aglycone:
COC(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1.O=c1nc(O)c(Br)c[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 607.5 | Num_heavy_atoms: | 40 |
| TPSA: | 114.04 | NumAromaticRings: | 4 |
Unique Aglycone
AD44619
Formula: C23H24O
Smiles:
COC(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.44 | Num_heavy_atoms: | 24 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
AD45138
Formula: C4H3O2N2Br
Smiles:
O=c1nc(O)c(Br)c[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.98 | Num_heavy_atoms: | 9 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
