Glycoside
GD139728
Name:
7-[(5-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.0²,¹¹.0âµ,¹â°.0¹â¶,¹â¹]nonadec-4-ene-12,18-dioneFormula:
C35H52O11Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3C(=O)C3OC(C)C5CC(=O)C4C35C)C2)OC(C)C1OC1OC(CO)C(O)C(C)C1OAglycone:
CC1OC2C(=O)C3C(CC=C4CC(O)CCC43C)C3C(=O)CC1C23CSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(CO)C(O)C(C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 648.79 | Num_heavy_atoms: | 46 |
| TPSA: | 150.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD52580
Formula: C21H28O4
Smiles:
CC1OC2C(=O)C3C(CC=C4CC(O)CCC43C)C3C(=O)CC1C23C| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 0 |
| MolWt: | 344.45 | Num_heavy_atoms: | 25 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
