Glycoside
GD033164
Name:
NoneFormula:
C34H48O10Smiles:
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@@H]5C6=CC(=O)[C@@H]7[C@H](C)OC(=O)[C@@]67CC[C@H]54)C3)C[C@H]2O)O[C@H](C)[C@H]1OAglycone:
CC1OC(=O)C23CCC4C(CC=C5CC(O)CCC54C)C2=CC(=O)C13Sugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 616.75 | Num_heavy_atoms: | 44 |
| TPSA: | 129.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD09745
Formula: C21H26O4
Smiles:
CC1OC(=O)C23CCC4C(CC=C5CC(O)CCC54C)C2=CC(=O)C13| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 0 |
| MolWt: | 342.44 | Num_heavy_atoms: | 25 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
