Glycoside
GD007452
Name:
NoneFormula:
C49H60O16S2Smiles:
O=C(O)Cc1cccc(-c2cc(CCCSCCCSCCCc3ccc(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(CCCSCCCSCCCc3ccc(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: | 16 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.47 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 24 |
| MolWt: | 969.14 | Num_heavy_atoms: | 67 |
| TPSA: | 273.36 | NumAromaticRings: | 4 |
Unique Aglycone
AD06073
Formula: C37H40O6S2
Smiles:
O=C(O)Cc1cccc(-c2cc(CCCSCCCSCCCc3ccc(O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O)c1| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 8.11 | Num_rotatable_bonds: | 18 |
| MolWt: | 644.86 | Num_heavy_atoms: | 45 |
| TPSA: | 115.06 | NumAromaticRings: | 4 |
