Glycoside
GD007103
Name:
NoneFormula:
C46H50O18Smiles:
O=C(O)Cc1cccc(-c2cc(C(=O)CCCCC(=O)c3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(-c4ccccc4CC(=O)O)c3)ccc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
O=C(O)Cc1cccc(-c2cc(C(=O)CCCCC(=O)c3ccc(O)c(-c4ccccc4CC(=O)O)c3)ccc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.39 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 19 |
| MolWt: | 890.89 | Num_heavy_atoms: | 64 |
| TPSA: | 307.5 | NumAromaticRings: | 4 |
Unique Aglycone
AD05805
Formula: C34H30O8
Smiles:
O=C(O)Cc1cccc(-c2cc(C(=O)CCCCC(=O)c3ccc(O)c(-c4ccccc4CC(=O)O)c3)ccc2O)c1| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 6.31 | Num_rotatable_bonds: | 13 |
| MolWt: | 566.61 | Num_heavy_atoms: | 42 |
| TPSA: | 149.2 | NumAromaticRings: | 4 |
