Glycoside
GD112066
Name:
NoneFormula:
C31H31O6N2BrSmiles:
Cc1ccc(C(OC[C@@H]2O[C@@H](n3cc(Br)c(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1Aglycone:
COC(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1.O=c1[nH]cc(Br)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 607.5 | Num_heavy_atoms: | 40 |
| TPSA: | 113.78 | NumAromaticRings: | 4 |
Unique Aglycone
AD04715
Formula: C4H3O2N2Br
Smiles:
O=c1[nH]cc(Br)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.98 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
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 |
