Glycoside
GD149627
Name:
5-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0²,¹¹.0³,â¸]hexadec-15-ene-7,13-dioneFormula:
C22H30O10Smiles:
COC1OC(OC)C(O)(C2CC3(C)C(CCC4(C)C3C3C=CC4(O)C(=O)O3)C(=O)O2)C1OAglycone:
CC12CCOC(=O)C1CCC1(C)C2C2C=CC1(O)C(=O)O2Sugarmoiety:
COC1OC(OC)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 454.47 | Num_heavy_atoms: | 32 |
| TPSA: | 140.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD59815
Formula: C16H20O5
Smiles:
CC12CCOC(=O)C1CCC1(C)C2C2C=CC1(O)C(=O)O2| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 292.33 | Num_heavy_atoms: | 21 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
