Glycoside
GD115868
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 hexadecanoateFormula:
C62H94O7Smiles:
CCCCCCCCCCCCCCCC(=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.CCCCCCCCCCCCCCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 15.38 | Num_rotatable_bonds: | 32 |
| MolWt: | 951.43 | Num_heavy_atoms: | 69 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD03475
Formula: C17H34O2
Smiles:
CCCCCCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 14 |
| MolWt: | 270.46 | Num_heavy_atoms: | 19 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
