Glycoside
GD010124
Name:
NoneFormula:
C29H28O10N4SBr2Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2nnc(-c3ccccc3)n2N=Cc2cc(Br)cc(Br)c2O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.Oc1c(Br)cc(Br)cc1C=Nn1c(S)nnc1-c1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.34 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 784.44 | Num_heavy_atoms: | 46 |
| TPSA: | 177.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD07862
Formula: C15H10ON4SBr2
Smiles:
Oc1c(Br)cc(Br)cc1C=Nn1c(S)nnc1-c1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 454.15 | Num_heavy_atoms: | 23 |
| TPSA: | 63.3 | NumAromaticRings: | 3 |
