Glycoside
GD031490
Name:
NoneFormula:
C36H58O13Smiles:
CO[C@H]1[C@H](O)[C@@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H]([C@@H]5COC(=O)C5)CC[C@@]43O)C2)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3COC(=O)C3)CCC12OSugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 698.85 | Num_heavy_atoms: | 49 |
| TPSA: | 193.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD03970
Formula: C23H36O4
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3COC(=O)C3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 1 |
| MolWt: | 376.54 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
