Glycoside
GD139692
Name:
(6-{[2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethyl-3-oxocyclohex-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-[3-(2-ethylcyclopropyl)-1-hydroxypropyl]hexanoateFormula:
C60H90O9Smiles:
CCCCC(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)C(=O)CCC2(C)C)C(O)C(O)C1O)C(O)CCC1CC1CCAglycone:
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)C(=O)CCC1(C)C.CCCCC(C(=O)OC)C(O)CCC1CC1CCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 12.51 | Num_rotatable_bonds: | 27 |
| MolWt: | 955.37 | Num_heavy_atoms: | 69 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD48371
Formula: C40H56O2
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)C(=O)CCC1(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 11.15 | Num_rotatable_bonds: | 14 |
| MolWt: | 568.89 | Num_heavy_atoms: | 42 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD56331
Formula: C15H28O3
Smiles:
CCCCC(C(=O)OC)C(O)CCC1CC1CC| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 256.39 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
