Glycoside
GD129356
Name:
2-({2-[8-hydroxy-3-(hydroxymethyl)-8-methyl-decahydroazulen-5-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H38O8Smiles:
CC1(O)CCC(C(C)(C)OC2OC(CO)C(O)C(O)C2O)CC2C(CO)CCC21Aglycone:
CC(C)(O)C1CCC(C)(O)C2CCC(CO)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.53 | Num_heavy_atoms: | 29 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD52403
Formula: C15H28O3
Smiles:
CC(C)(O)C1CCC(C)(O)C2CCC(CO)C2C1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 256.39 | Num_heavy_atoms: | 18 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
