Glycoside
GD132090
Name:
2-({19-hydroxy-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.0³,¹².0â¶,¹¹.0¹â¶,²¹]tricos-1(23)-en-8-yl}oxy)oxane-3,4,5-triolFormula:
C35H58O6Smiles:
CC12CCC3C(C)(C)C(OC4OCC(O)C(O)C4O)CCC3(C)C1CCC1C(=CCC3C(C)(C)C(O)CCC13C)C2Aglycone:
CC12CCC3C(C)(C)C(O)CCC3(C)C1CCC1C(=CCC3C(C)(C)C(O)CCC13C)C2Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 5.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 574.84 | Num_heavy_atoms: | 41 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD53476
Formula: C30H50O2
Smiles:
CC12CCC3C(C)(C)C(O)CCC3(C)C1CCC1C(=CCC3C(C)(C)C(O)CCC13C)C2| HBA: | 2 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 7.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 442.73 | Num_heavy_atoms: | 32 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
