Glycoside
GD130403
Name:
2-({1,19-dihydroxy-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.0³,¹².0â¶,¹¹.0¹â¶,²¹]tricosan-8-yl}oxy)oxane-3,4,5-triolFormula:
C35H60O7Smiles:
CC12CCC3C(C)(C)C(OC4OCC(O)C(O)C4O)CCC3(C)C1CCC1C(O)(CCC3C(C)(C)C(O)CCC13C)C2Aglycone:
CC12CCC3C(C)(C)C(O)CCC3(C)C1CCC1C(O)(CCC3C(C)(C)C(O)CCC13C)C2Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 592.86 | Num_heavy_atoms: | 42 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD52847
Formula: C30H52O3
Smiles:
CC12CCC3C(C)(C)C(O)CCC3(C)C1CCC1C(O)(CCC3C(C)(C)C(O)CCC13C)C2| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 6.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 460.74 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
