Glycoside
GD017839
Name:
NoneFormula:
C34H52O15Smiles:
C=C1C[C@@]23CC[C@H]4[C@@](C)(C(=O)OCC(=O)O)CCC[C@]4(C)[C@H]2CC[C@@]1(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C3Aglycone:
C=C1CC23CCC4C(C)(C(=O)OCC(=O)O)CCCC4(C)C2CCC1(O)C3Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 9 |
| MolWt: | 700.78 | Num_heavy_atoms: | 49 |
| TPSA: | 242.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD12685
Formula: C22H32O5
Smiles:
C=C1CC23CCC4C(C)(C(=O)OCC(=O)O)CCCC4(C)C2CCC1(O)C3| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 376.49 | Num_heavy_atoms: | 27 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
