Glycoside
GD007227
Name:
NoneFormula:
C44H64O13Smiles:
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)C=Cc4ccccc4)[C@]4(C)[C@](O)([C@H](C)O)CC[C@]54O)C3)C[C@H]2OC)O[C@@H](C)[C@H]1OAglycone:
CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12CSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 10 |
| MolWt: | 800.98 | Num_heavy_atoms: | 57 |
| TPSA: | 182.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD04115
Formula: C30H40O7
Smiles:
CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 512.64 | Num_heavy_atoms: | 37 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
