Glycoside

GD023234
Name:
NoneFormula:
C43H64O10Smiles:
COc1ccc([C@@H]2C[C@]34COC[C@](C)([C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]3CC[C@@H]2C4=CC[C@]3(C)[C@H](C(=O)O)[C@](C)([C@H](C)C(C)C)CC[C@]23C)cc1Aglycone:
COc1ccc(C2CC34COCC(C)(C2O)C3CCC2C4=CCC3(C)C(C(=O)O)C(C)(C(C)C(C)C)CCC23C)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 7 |
HBD: | 5 | FractionCSP3: | 0.79 |
AlogP: | 5.55 | Num_rotatable_bonds: | 8 |
MolWt: | 740.98 | Num_heavy_atoms: | 53 |
TPSA: | 155.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD15649
Formula: C37H54O5
Smiles:
COc1ccc(C2CC34COCC(C)(C2O)C3CCC2C4=CCC3(C)C(C(=O)O)C(C)(C(C)C(C)C)CCC23C)cc1HBA: | 5 | RingCount: | 6 |
HBD: | 2 | FractionCSP3: | 0.76 |
AlogP: | 7.73 | Num_rotatable_bonds: | 5 |
MolWt: | 578.83 | Num_heavy_atoms: | 42 |
TPSA: | 75.99 | NumAromaticRings: | 1 |