Glycoside
GD126455
Name:
10-[(4,5-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2,2,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydropicene-4a-carboxylic acidFormula:
C41H66O12Smiles:
CC1OC(OC2CCC3(C)C4CCC5=C(CCC6(C(=O)O)CCC(C)(C)CC56)C4(C)CCC3C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3=C(CCC4C3(C)CCC3C(C)(C)C(O)CCC43C)C2C1Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 750.97 | Num_heavy_atoms: | 53 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD47165
Formula: C29H46O3
Smiles:
CC1(C)CCC2(C(=O)O)CCC3=C(CCC4C3(C)CCC3C(C)(C)C(O)CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 442.68 | Num_heavy_atoms: | 32 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
