Glycoside
GD134073
Name:
10-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C41H66O11Smiles:
CC1CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(OC5OC(C)C(OC6OC(C)C(O)C(O)C6O)C(O)C5O)CCC34C)C2C1CAglycone:
CC1CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C2C1CSugarmoiety:
CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 734.97 | Num_heavy_atoms: | 52 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD22526
Formula: C29H46O3
Smiles:
CC1CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C2C1C| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 442.68 | Num_heavy_atoms: | 32 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
