Glycoside
GD009601
Name:
NoneFormula:
C54H54O17Smiles:
O=C(O)Cc1cccc(-c2cc(Cc3ccc(Oc4ccc(Cc5ccc(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)c(-c6cccc(CC(=O)O)c6)c5)cc4)cc3)ccc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
O=C(O)Cc1cccc(-c2cc(Cc3ccc(Oc4ccc(Cc5ccc(O)c(-c6cccc(CC(=O)O)c6)c5)cc4)cc3)ccc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.3 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 18 |
| MolWt: | 975.01 | Num_heavy_atoms: | 71 |
| TPSA: | 282.59 | NumAromaticRings: | 6 |
Unique Aglycone
AD07515
Formula: C42H34O7
Smiles:
O=C(O)Cc1cccc(-c2cc(Cc3ccc(Oc4ccc(Cc5ccc(O)c(-c6cccc(CC(=O)O)c6)c5)cc4)cc3)ccc2O)c1| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.1 |
| AlogP: | 8.66 | Num_rotatable_bonds: | 12 |
| MolWt: | 650.73 | Num_heavy_atoms: | 49 |
| TPSA: | 124.29 | NumAromaticRings: | 6 |
