Glycoside
GD034068
Name:
NoneFormula:
C50H62O20Smiles:
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=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=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: | 0.46 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 22 |
| MolWt: | 983.03 | Num_heavy_atoms: | 70 |
| TPSA: | 307.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
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 |
