Glycoside
GD141700
Name:
8-hydroxy-7-[(5-hydroxy-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:
C28H40O8Smiles:
COC1CC(OC2CC3=CCC4C(C(=O)C5OC(C)C6CC(=O)C4C56C)C3(C)CC2O)OC(C)C1OAglycone:
CC1OC2C(=O)C3C(CC=C4CC(O)C(O)CC43C)C3C(=O)CC1C23CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 504.62 | Num_heavy_atoms: | 36 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD57068
Formula: C21H28O5
Smiles:
CC1OC2C(=O)C3C(CC=C4CC(O)C(O)CC43C)C3C(=O)CC1C23C| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 360.45 | Num_heavy_atoms: | 26 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
