Glycoside
GD005728
Name:
NoneFormula:
C33H56O12SSmiles:
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)OAglycone:
CC(C)C(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)COS(=O)(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 676.87 | Num_heavy_atoms: | 46 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD04824
Formula: C28H48O8S
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: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 544.75 | Num_heavy_atoms: | 37 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
