Glycoside
GD033311
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C36H56O12Smiles:
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@]5(C)C[C@H](O)[C@H](O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@H]2[C@H]1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CC(=O)C4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 680.83 | Num_heavy_atoms: | 48 |
| TPSA: | 214.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD21276
Formula: C30H46O7
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CC(=O)C4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1O| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 518.69 | Num_heavy_atoms: | 37 |
| TPSA: | 135.29 | NumAromaticRings: | 0 |
