Glycoside
GD033432
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1-methylidene-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C36H56O9Smiles:
C=C1C2C3=CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@H]5CC[C@@]4(C)[C@@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@H]1CAglycone:
C=C1C(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 632.84 | Num_heavy_atoms: | 45 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD21335
Formula: C30H46O4
Smiles:
C=C1C(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 5.98 | Num_rotatable_bonds: | 2 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
