Glycoside
GD016951
Name:
ITOL B-20-O-BETA-D-GLUCOPYRANOSIDEFormula:
C26H42O12Smiles:
CC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@]1(O)[C@H](O)[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)CO)C3(C)C12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -2.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 546.61 | Num_heavy_atoms: | 38 |
| TPSA: | 209.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD12151
Formula: C20H32O7
Smiles:
CC1CCC2(O)C1C1OC3(O)CC2(C)C2C(O)C(O)(C(C)CO)C3(C)C12O| HBA: | 7 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 384.47 | Num_heavy_atoms: | 27 |
| TPSA: | 130.61 | NumAromaticRings: | 0 |
