Glycoside
GD024884
Name:
PYCNOPODIOSIDE BFormula:
C32H56O12SSmiles:
CC(C)[C@H](CC[C@H](C)[C@@H]1C[C@H](O)[C@H]2[C@@]1(C)CC[C@H]1[C@@]2(O)C[C@H](O)[C@@H]2C[C@H](OS(=O)(=O)O)CC[C@]21C)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(OS(=O)(=O)O)CC3C(O)CC12OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 664.86 | Num_heavy_atoms: | 45 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD16565
Formula: C27H48O8S
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(OS(=O)(=O)O)CC3C(O)CC12O| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 532.74 | Num_heavy_atoms: | 36 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
