Glycoside
GD128020
Name:
3,7,10-trimethyl-11-(propan-2-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15-oxapentacyclo[7.5.1.0²,â¶.0â·,¹³.0¹â°,¹â´]pentadecane-6,9,14-triolFormula:
C26H42O10Smiles:
CC(C)C1CC2C3(C)CC4(O)OC(C5C(C)C(OC6OC(CO)C(O)C(O)C6O)CC53O)C2(O)C14CAglycone:
CC(C)C1CC2C3(C)CC4(O)OC(C5C(C)C(O)CC53O)C2(O)C14CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 514.61 | Num_heavy_atoms: | 36 |
| TPSA: | 169.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD51861
Formula: C20H32O5
Smiles:
CC(C)C1CC2C3(C)CC4(O)OC(C5C(C)C(O)CC53O)C2(O)C14C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 352.47 | Num_heavy_atoms: | 25 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
