Glycoside
GD006269
Name:
NoneFormula:
C45H66O15Smiles:
CO[C@@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3CC[C@]4(C)[C@@H]5C[C@H](OC(=O)C=CC=Cc6ccccc6)[C@]6(C)[C@](O)([C@H](C)O)CC[C@@]6(O)[C@@]5(O)C[C@H](O)[C@@]4(O)C3)C[C@H]2O)O[C@H](C)[C@H]1OAglycone:
CC(O)C1(O)CCC2(O)C3(O)CC(O)C4(O)CC(O)CCC4(C)C3CC(OC(=O)C=CC=Cc3ccccc3)C12CSugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.76 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 847.01 | Num_heavy_atoms: | 60 |
| TPSA: | 234.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD05200
Formula: C32H44O9
Smiles:
CC(O)C1(O)CCC2(O)C3(O)CC(O)C4(O)CC(O)CCC4(C)C3CC(OC(=O)C=CC=Cc3ccccc3)C12C| HBA: | 9 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.66 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 572.7 | Num_heavy_atoms: | 41 |
| TPSA: | 167.91 | NumAromaticRings: | 1 |
