Glycoside
GD017812
Name:
ACODONTASTEROSIDE DFormula:
C39H68O14Smiles:
CC(C)[C@H](CCO[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)CC[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]2[C@H](O)[C@H](O)CC[C@]21CAglycone:
CC(C)C(CCO)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12OSugarmoiety:
OC1COC(OC2C(O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 11 |
| MolWt: | 760.96 | Num_heavy_atoms: | 53 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD12668
Formula: C29H52O6
Smiles:
CC(C)C(CCO)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 496.73 | Num_heavy_atoms: | 35 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
