Glycoside
GD025518
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10,11-dihydroxy-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14-icosahydropicene-4a-carboxylateFormula:
C36H58O11Smiles:
C[C@@]1(CO)[C@H]2CC[C@]3(C)[C@H](CCC4=C5C[C@](C)(CO)CC[C@]5(C(=O)O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@]43C)[C@]2(C)C[C@H](O)[C@@H]1OAglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=C2C1)CCC1C2(C)CC(O)C(O)C(C)(CO)C2CCC13CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 666.85 | Num_heavy_atoms: | 47 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD16913
Formula: C30H48O6
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=C2C1)CCC1C2(C)CC(O)C(O)C(C)(CO)C2CCC13C| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
