Glycoside
GD137846
Name:
(6-{[31-({6-[(butanoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaen-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl butanoateFormula:
C60H92O14Smiles:
CCCC(=O)OCC1OC(OC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)OC2OC(COC(=O)CCC)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O.CCCC(=O)OC.CCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | 9.68 | Num_rotatable_bonds: | 30 |
| MolWt: | 1037.38 | Num_heavy_atoms: | 74 |
| TPSA: | 210.9 | 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 |
AD52566
Formula: C40H60O2
Smiles:
CC(C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 11.33 | Num_rotatable_bonds: | 18 |
| MolWt: | 572.92 | Num_heavy_atoms: | 42 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
