Glycoside
GD149959
Name:
6-({2,9-dihydroxy-14-[(methoxycarbonyl)amino]-15-oxo-13-thiatetracyclo[7.4.3.0¹,¹â°.0³,â¸]hexadeca-3,5,7,10-tetraen-16-yl}oxy)-3-hydroxy-2-methyloxan-4-yl 4,5-dimethoxy-2-(2-methoxyprop-2-enamido)benzoateFormula:
C36H40O14N2SSmiles:
C=C(OC)C(O)=Nc1cc(OC)c(OC)cc1C(=O)OC1CC(OC2C(=O)C(N=C(O)OC)C34SCC=C3C2(O)c2ccccc2C4O)OC(C)C1OAglycone:
C=C(OC)C(O)=Nc1cc(OC)c(OC)cc1C(=O)O.COC(O)=NC1C(=O)C(O)C2(O)C3=CCSC31C(O)c1ccccc12Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 10 |
| MolWt: | 756.78 | Num_heavy_atoms: | 53 |
| TPSA: | 224.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD46429
Formula: C13H15O6N
Smiles:
C=C(OC)C(O)=Nc1cc(OC)c(OC)cc1C(=O)O| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 281.26 | Num_heavy_atoms: | 20 |
| TPSA: | 97.58 | NumAromaticRings: | 1 |
AD59937
Formula: C17H17O6NS
Smiles:
COC(O)=NC1C(=O)C(O)C2(O)C3=CCSC31C(O)c1ccccc12| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 363.39 | Num_heavy_atoms: | 25 |
| TPSA: | 119.58 | NumAromaticRings: | 1 |
