Glycoside
GD028662
Name:
ASTERIIDOSIDE LFormula:
C33H55O12SSmiles:
CC(C)[C@H](C=C[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](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)CC[C@]21C)COS(=O)(=O)[O-]Aglycone:
CC(C)C(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)COS(=O)(=O)[O-]Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 675.86 | Num_heavy_atoms: | 46 |
| TPSA: | 206.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD18703
Formula: C28H47O8S
Smiles:
CC(C)C(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)COS(=O)(=O)[O-]| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 543.74 | Num_heavy_atoms: | 37 |
| TPSA: | 147.35 | NumAromaticRings: | 0 |
