Glycoside
GD006263
Name:
NoneFormula:
C51H68O14Smiles:
CO[C@H]1C[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3CC[C@]4(C)C(=CC[C@]5(O)[C@H]4C[C@H](OC(=O)c4ccccc4)[C@]4(C)[C@](O)([C@H](C)OC(=O)C=Cc6ccccc6)CC[C@]54O)C3)C[C@H]2OC)O[C@@H](C)[C@H]1OAglycone:
CC(OC(=O)C=Cc1ccccc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12CSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 5.82 | Num_rotatable_bonds: | 12 |
| MolWt: | 905.09 | Num_heavy_atoms: | 65 |
| TPSA: | 188.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD05197
Formula: C37H44O8
Smiles:
CC(OC(=O)C=Cc1ccccc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.51 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 616.75 | Num_heavy_atoms: | 45 |
| TPSA: | 133.52 | NumAromaticRings: | 2 |
