Glycoside
GD021621
Name:
NoneFormula:
C37H56O17Smiles:
C=C1C[C@@]23CC[C@H]4[C@@](C)(C(=O)OC(CCC(=O)O)C(=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)OC(CCC(=O)O)C(=O)O)CCCC4(C)C2CCC1(O)C3Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.86 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 12 |
| MolWt: | 772.84 | Num_heavy_atoms: | 54 |
| TPSA: | 279.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD14753
Formula: C25H36O7
Smiles:
C=C1CC23CCC4C(C)(C(=O)OC(CCC(=O)O)C(=O)O)CCCC4(C)C2CCC1(O)C3| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.56 | Num_heavy_atoms: | 32 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
