Glycoside
GD145191
Name:
(6-{[2,6,10,14,19,23-hexamethyl-25-(2,3,6-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl tridecanoateFormula:
C59H88O7Smiles:
CCCCCCCCCCCCC(=O)OCC1OC(OC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc2c(C)ccc(C)c2C)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=Cc1c(C)ccc(C)c1C.CCCCCCCCCCCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 14.21 | Num_rotatable_bonds: | 29 |
| MolWt: | 909.35 | Num_heavy_atoms: | 66 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD24218
Formula: C40H54O
Smiles:
CC(C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=Cc1c(C)ccc(C)c1C| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 11.52 | Num_rotatable_bonds: | 14 |
| MolWt: | 550.87 | Num_heavy_atoms: | 41 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD58293
Formula: C14H28O2
Smiles:
CCCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.93 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 11 |
| MolWt: | 228.38 | Num_heavy_atoms: | 16 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
