Glycoside
GD011651
Name:
NoneFormula:
C40H66O13Smiles:
CO[C@@]1(CC[C@H](C)CO)O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]2[C@H]1CAglycone:
COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 10 |
| MolWt: | 754.96 | Num_heavy_atoms: | 53 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD00335
Formula: C28H46O4
Smiles:
COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.67 | Num_heavy_atoms: | 32 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
