Glycoside
GD138164
Name:
2-ethyl-6-{[2,6,6,7,10-pentamethyl-15-(4,5,6-trihydroxy-6-methylheptan-2-yl)pentacyclo[12.3.1.0¹,¹â´.0²,¹¹.0âµ,¹â°]octadecan-3-yl]oxy}oxane-3,4,5-triolFormula:
C38H66O8Smiles:
CCC1OC(OC2CC3C(C)(C)C(C)CCC3(C)C3CCC45CC4(CCC5C(C)CC(O)C(O)C(C)(C)O)C23C)C(O)C(O)C1OAglycone:
CC(CC(O)C(O)C(C)(C)O)C1CCC23CC12CCC1C2(C)CCC(C)C(C)(C)C2CC(O)C13CSugarmoiety:
CCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 650.94 | Num_heavy_atoms: | 46 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD55791
Formula: C31H54O4
Smiles:
CC(CC(O)C(O)C(C)(C)O)C1CCC23CC12CCC1C2(C)CCC(C)C(C)(C)C2CC(O)C13C| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.77 | Num_heavy_atoms: | 35 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
