Glycoside
GD131141
Name:
(6-{[2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 2-butyl-3-hydroxyheptanoateFormula:
C57H88O8Smiles:
CCCCC(O)C(CCCC)C(=O)OCC1OC(OC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C)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=CC1=C(C)CCCC1(C)C.CCCCC(O)C(CCCC)C(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 12.7 | Num_rotatable_bonds: | 26 |
| MolWt: | 901.32 | Num_heavy_atoms: | 65 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD53138
Formula: C40H58O
Smiles:
CC(C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 11.97 | Num_rotatable_bonds: | 14 |
| MolWt: | 554.9 | Num_heavy_atoms: | 41 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD53139
Formula: C12H24O3
Smiles:
CCCCC(O)C(CCCC)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 216.32 | Num_heavy_atoms: | 15 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
