Glycoside
GD025192
Name:
NoneFormula:
C36H56O9Smiles:
COC(C)(C)[C@@H]1O[C@@]23O[C@H]1C[C@H](C)[C@H]2[C@]1(C)CC[C@]24C[C@]25CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]5CC=C4[C@@]1(C)[C@H]3OAglycone:
COC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CC=C4C1(C)C3OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 632.84 | Num_heavy_atoms: | 45 |
| TPSA: | 127.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD16734
Formula: C31H48O5
Smiles:
COC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CC=C4C1(C)C3O| HBA: | 5 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 5.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 500.72 | Num_heavy_atoms: | 36 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
