Glycoside
GD028226
Name:
NoneFormula:
C52H64O20Smiles:
CC(=O)O[C@H](CCCC=CC=CC=CC=CC=Cc1ccc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](C)[C@H](O)[C@H](O[C@@H]4O[C@H](COC(=O)C=CC=Cc5ccccc5)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)cc1)C(=O)OAglycone:
CC(=O)OC(CCCC=CC=CC=CC=CC=Cc1ccc(O)cc1)C(=O)O.COC(=O)C=CC=Cc1ccccc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(OC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 23 |
| MolWt: | 1009.06 | Num_heavy_atoms: | 72 |
| TPSA: | 307.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD18470
Formula: C23H26O5
Smiles:
CC(=O)OC(CCCC=CC=CC=CC=CC=Cc1ccc(O)cc1)C(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 4.82 | Num_rotatable_bonds: | 11 |
| MolWt: | 382.46 | Num_heavy_atoms: | 28 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
AD18471
Formula: C12H12O2
Smiles:
COC(=O)C=CC=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 188.23 | Num_heavy_atoms: | 14 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
