Glycoside
GD117038
Name:
2,3,4,5-tetrahydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]cyclohexyl 6-bromo-4'-hydroxy-4'-methyl-2,12',14'-trioxo-1,2-dihydro-2',9',11',13'-tetraazaspiro[indole-3,5'-tricyclo[8.4.0.0³,â·]tetradecane]-1'(10'),2'-diene-6'-carboxylateFormula:
C30H34O15N5BrSmiles:
CC1(O)C2=Nc3c(O)nc(O)nc3NCC2C(C(=O)OC2C(O)C(O)C(O)C(O)C2OC2OCC(O)C(O)C2O)C12C(O)=Nc1cc(Br)ccc12Aglycone:
CC1(O)C2=Nc3c(O)nc(O)nc3NCC2C(C(=O)OC2C(O)C(O)C(O)C(O)C2O)C12C(O)=Nc1cc(Br)ccc12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.57 |
| AlogP: | -3.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 784.53 | Num_heavy_atoms: | 51 |
| TPSA: | 329.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD46594
Formula: C25H26O11N5Br
Smiles:
CC1(O)C2=Nc3c(O)nc(O)nc3NCC2C(C(=O)OC2C(O)C(O)C(O)C(O)C2O)C12C(O)=Nc1cc(Br)ccc12| HBA: | 16 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 652.41 | Num_heavy_atoms: | 42 |
| TPSA: | 270.9 | NumAromaticRings: | 2 |
