Glycoside
GD114276
Name:
7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-1-hydroxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.0²,¹¹.0âµ,¹â°.0¹â¶,¹â¹]nonadec-4-ene-12,18-dioneFormula:
C28H40O9Smiles:
COC1C(O)C(C)OC(OC2CCC3(C)C(=CCC4C3C(=O)C3OC(C)C5CC(=O)C4(O)C35C)C2)C1OAglycone:
CC1OC2C(=O)C3C(CC=C4CC(O)CCC43C)C3(O)C(=O)CC1C23CSugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 520.62 | Num_heavy_atoms: | 37 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD44950
Formula: C21H28O5
Smiles:
CC1OC2C(=O)C3C(CC=C4CC(O)CCC43C)C3(O)C(=O)CC1C23C| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 360.45 | Num_heavy_atoms: | 26 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
