Glycoside
GD035174
Name:
NoneFormula:
C48H72O13Smiles:
COC(COCCCCCCCCCCCCCCCCC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2C34)CO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
COC(CO)COCCCCCCCCCCCCCCCCC1=CC=C2C=CC3=CC=CC4=CC=C1C2C34Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 27 |
| MolWt: | 857.09 | Num_heavy_atoms: | 61 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD22271
Formula: C36H52O3
Smiles:
COC(CO)COCCCCCCCCCCCCCCCCC1=CC=C2C=CC3=CC=CC4=CC=C1C2C34| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 8.89 | Num_rotatable_bonds: | 21 |
| MolWt: | 532.81 | Num_heavy_atoms: | 39 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
