Glycoside
GD008685
Name:
ANTIAROSIDE HFormula:
C29H42O12Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C(=O)O)[C@@H]4C[C@H](O)[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12C(O)CC3C(CCC4(O)CC(O)CCC34C(=O)O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 582.64 | Num_heavy_atoms: | 41 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD06904
Formula: C23H32O8
Smiles:
CC12C(O)CC3C(CCC4(O)CC(O)CCC34C(=O)O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 436.5 | Num_heavy_atoms: | 31 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
