Glycoside
GD146581
Name:
10-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,6b,9,12a,14a-heptamethyl-docosahydropicene-4a-carboxylic acidFormula:
C43H72O13Smiles:
CC1OC(OC2C(CO)OC(OC3CCC4(C)C(CCC5(C)C4CCC4(C)C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(C)(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 797.04 | Num_heavy_atoms: | 56 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD58763
Formula: C31H52O4
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(C)(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 6.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.75 | Num_heavy_atoms: | 35 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
