Glycoside
GD155908
Name:
{3,4,5-trihydroxy-6-[(2,6,10,14,19,23,27,31-octamethyl-31-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaen-2-yl)oxy]oxan-2-yl}methyl propanoateFormula:
C55H84O13Smiles:
CCC(=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(CO)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.CCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | 7.94 | Num_rotatable_bonds: | 26 |
| MolWt: | 953.26 | Num_heavy_atoms: | 68 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD04957
Formula: C4H8O2
Smiles:
CCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| 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 |
