Glycoside

GD005015
Name:
CYANOLIDE AFormula:
C42H72O16Smiles:
CC[C@@H]1C[C@@H]2C[C@H](O[C@@H]3OC[C@H](OC)[C@H](OC)[C@H]3OC)C(C)(C)[C@H](CC(=O)O[C@H](CC)C[C@@H]3C[C@H](O[C@@H]4OC[C@H](OC)[C@H](OC)[C@H]4OC)C(C)(C)[C@H](CC(=O)O1)O3)O2Aglycone:
CCC1CC2CC(O)C(C)(C)C(CC(=O)OC(CC)CC3CC(O)C(C)(C)C(CC(=O)O1)O3)O2Sugarmoiety:
COC1COC(O)C(OC)C1OC.COC1COC(O)C(OC)C1OCOther Identifiers
Properties
HBA: | 16 | RingCount: | 5 |
HBD: | 0 | FractionCSP3: | 0.95 |
AlogP: | 4.14 | Num_rotatable_bonds: | 12 |
MolWt: | 833.02 | Num_heavy_atoms: | 58 |
TPSA: | 163.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD04300
Formula: C26H44O8
Smiles:
CCC1CC2CC(O)C(C)(C)C(CC(=O)OC(CC)CC3CC(O)C(C)(C)C(CC(=O)O1)O3)O2HBA: | 8 | RingCount: | 3 |
HBD: | 2 | FractionCSP3: | 0.92 |
AlogP: | 3.29 | Num_rotatable_bonds: | 2 |
MolWt: | 484.63 | Num_heavy_atoms: | 34 |
TPSA: | 111.52 | NumAromaticRings: | 0 |