Glycoside
GD145502
Name:
1,2,6a,6b,9,9,12a-heptamethyl-10-({4,5,6-trihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C41H66O12Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(O)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1CAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1CSugarmoiety:
CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 750.97 | Num_heavy_atoms: | 53 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD03055
Formula: C30H48O3
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 7.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
