Glycoside
GD028280
Name:
NoneFormula:
C49H60O20S2Smiles:
O=C(O)Cc1cccc(-c2cc(CCCS(=O)(=O)CCCS(=O)(=O)CCCc3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
O=C(O)Cc1cccc(-c2cc(CCCS(=O)(=O)CCCS(=O)(=O)CCCc3ccc(O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.47 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 24 |
| MolWt: | 1033.13 | Num_heavy_atoms: | 71 |
| TPSA: | 341.64 | NumAromaticRings: | 4 |
Unique Aglycone
AD18499
Formula: C37H40O10S2
Smiles:
O=C(O)Cc1cccc(-c2cc(CCCS(=O)(=O)CCCS(=O)(=O)CCCc3ccc(O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O)c1| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 18 |
| MolWt: | 708.85 | Num_heavy_atoms: | 49 |
| TPSA: | 183.34 | NumAromaticRings: | 4 |
