Glycoside
GD157813
Name:
{3,4,5-trihydroxy-6-[(2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-2-yl)oxy]oxan-2-yl}methyl butanoateFormula:
C50H74O7Smiles:
CCCC(=O)OCC1OC(OC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C(O)C(O)C1OAglycone:
CC(C)=CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)O.CCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 11.31 | Num_rotatable_bonds: | 23 |
| MolWt: | 787.13 | Num_heavy_atoms: | 57 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD01168
Formula: C5H10O2
Smiles:
CCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD61025
Formula: C40H58O
Smiles:
CC(C)=CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)O| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 12.13 | Num_rotatable_bonds: | 17 |
| MolWt: | 554.9 | Num_heavy_atoms: | 41 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
