Glycoside
GD134347
Name:
N-(8-{[3,4-dihydroxy-5-(hydroxyamino)-6-methyloxan-2-yl]oxy}-1,12-dihydroxy-13-{2-[(methylsulfanyl)disulfanyl]ethylidene}-11-oxobicyclo[7.3.1]trideca-4,9-dien-2,6-diyn-10-yl)methoxycarboximidic acidFormula:
C24H28O10N2S3Smiles:
COC(O)=NC1=C2C(=CCSSSC)C(O)(C#CC=CC#CC2OC2OC(C)C(NO)C(O)C2O)C(O)C1=OAglycone:
COC(O)=NC1=C2C(=CCSSSC)C(O)(C#CC=CC#CC2O)C(O)C1=OSugarmoiety:
CC1OC(O)C(O)C(O)C1NOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 600.69 | Num_heavy_atoms: | 39 |
| TPSA: | 190.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD46431
Formula: C18H17O6NS3
Smiles:
COC(O)=NC1=C2C(=CCSSSC)C(O)(C#CC=CC#CC2O)C(O)C1=O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 439.54 | Num_heavy_atoms: | 28 |
| TPSA: | 119.58 | NumAromaticRings: | 0 |
