Glycoside
GD154994
Name:
2-({5-[2-(3,7-dihydroxy-2,2,5a,7-tetramethyl-decahydro-1-benzoxepin-6-yl)ethyl]-1,4,4,6-tetramethyl-1,2,3,3a,4,5,8,8a-octahydroazulen-1-yl}oxy)-6-methyloxane-3,4,5-triolFormula:
C36H62O8Smiles:
CC1=CCC2C(CCC2(C)OC2OC(C)C(O)C(O)C2O)C(C)(C)C1CCC1C(C)(O)CCC2OC(C)(C)C(O)CCC21CAglycone:
CC1=CCC2C(CCC2(C)O)C(C)(C)C1CCC1C(C)(O)CCC2OC(C)(C)C(O)CCC21CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 4.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 622.88 | Num_heavy_atoms: | 44 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD61518
Formula: C30H52O4
Smiles:
CC1=CCC2C(CCC2(C)O)C(C)(C)C1CCC1C(C)(O)CCC2OC(C)(C)C(O)CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
