Glycoside
GD114547
Name:
1,9,13-trihydroxy-3,6,6,10-tetramethyl-14-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tricyclo[10.3.0.0âµ,â·]pentadeca-3,10-dien-2-oneFormula:
C26H40O10Smiles:
CC1=CC2C(CC(O)C(C)=CC3C(O)C(COC4OC(CO)C(O)C(O)C4O)CC3(O)C1=O)C2(C)CAglycone:
CC1=CC2C(CC(O)C(C)=CC3C(O)C(CO)CC3(O)C1=O)C2(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 512.6 | Num_heavy_atoms: | 36 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD45129
Formula: C20H30O5
Smiles:
CC1=CC2C(CC(O)C(C)=CC3C(O)C(CO)CC3(O)C1=O)C2(C)C| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 350.46 | Num_heavy_atoms: | 25 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
