Glycoside
GD127078
Name:
2-ethyl-5-({[2-hydroxy-25-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-3-yl]oxy}methoxy)oxolane-3,4-diolFormula:
C47H68O7Smiles:
CCC1OC(OCOC(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(O)C1OAglycone:
CC(C=CC=C(C)C=CC=C(C)C=CC(OCO)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)CSugarmoiety:
CCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.49 |
| AlogP: | 9.54 | Num_rotatable_bonds: | 18 |
| MolWt: | 745.05 | Num_heavy_atoms: | 54 |
| TPSA: | 108.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD51443
Formula: C41H58O4
Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CC(OCO)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 9.66 | Num_rotatable_bonds: | 15 |
| MolWt: | 614.91 | Num_heavy_atoms: | 45 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
