Glycoside
GD011070
Name:
NoneFormula:
C28H46O12Smiles:
CC(=O)O[C@@H]1[C@@H]2CC[C@H]3[C@@](C)(O)[C@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@]4(O)[C@@H](O)C[C@]13C[C@]2(C)OAglycone:
CC(=O)OC1C2CCC3C(C)(O)C4CC(O)C(C)(C)C4(O)C(O)CC13CC2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.96 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 574.66 | Num_heavy_atoms: | 40 |
| TPSA: | 206.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD08484
Formula: C22H36O7
Smiles:
CC(=O)OC1C2CCC3C(C)(O)C4CC(O)C(C)(C)C4(O)C(O)CC13CC2(C)O| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 412.52 | Num_heavy_atoms: | 29 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
