Glycoside
GD139799
Name:
2-{[4,4,6a,11,11,14b-hexamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C41H68O11Smiles:
CC1OC(OC2CCC3(C)C(CCC4(C)C5CCC6(COC7OC(CO)C(O)C(O)C7O)CCC(C)(C)CC6C5=CCC43)C2(C)C)C(O)C(O)C1OAglycone:
CC1(C)CCC2(CO)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C2C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 736.98 | Num_heavy_atoms: | 52 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD56379
Formula: C29H48O2
Smiles:
CC1(C)CCC2(CO)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C2C1| HBA: | 2 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 6.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 428.7 | Num_heavy_atoms: | 31 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
