Glycoside
GD009966
Name:
ITOL A-14-O-BETA-D-GLUCOPYRANOSIDEFormula:
C26H42O11Smiles:
CC(C)[C@]1(O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@]3(C)C[C@@]4(O)O[C@H]([C@H]5[C@@H](C)CC[C@]53O)[C@]2(O)[C@]41CAglycone:
CC1CCC2(O)C1C1OC3(O)CC2(C)C2C(O)C(O)(C(C)C)C3(C)C12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 530.61 | Num_heavy_atoms: | 37 |
| TPSA: | 189.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD07753
Formula: C20H32O6
Smiles:
CC1CCC2(O)C1C1OC3(O)CC2(C)C2C(O)C(O)(C(C)C)C3(C)C12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 368.47 | Num_heavy_atoms: | 26 |
| TPSA: | 110.38 | NumAromaticRings: | 0 |
