Glycoside
GD108450
Name:
1-(7-hydroxy-2,4b,8,8-tetramethyl-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-2-yl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl acetateFormula:
C28H46O9Smiles:
CC(=O)O[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@]1(C)C=C2CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]3(C)[C@@H]2CC1Aglycone:
CC(=O)OC(CO)C1(C)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 526.67 | Num_heavy_atoms: | 37 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD44433
Formula: C22H36O4
Smiles:
CC(=O)OC(CO)C1(C)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 364.53 | Num_heavy_atoms: | 26 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
