Glycoside
GD143788
Name:
4-{24-hydroxy-3,7,12,16,20,24-hexamethyl-23-[(3,4,5-trimethoxyoxolan-2-yl)oxy]pentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaen-1-yl}-3,5,5-trimethylcyclohex-3-en-1-olFormula:
C47H68O7Smiles:
COC1OC(OC(C=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)CC(O)CC2(C)C)C(C)(C)O)C(OC)C1OCAglycone:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)CSugarmoiety:
COC1OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.49 |
| AlogP: | 10.07 | Num_rotatable_bonds: | 18 |
| MolWt: | 745.05 | Num_heavy_atoms: | 54 |
| TPSA: | 86.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD49976
Formula: C40H56O3
Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 9.68 | Num_rotatable_bonds: | 13 |
| MolWt: | 584.89 | Num_heavy_atoms: | 43 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
