Glycoside
GD158165
Name:
10-{[5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxyoxan-2-yl]oxy}-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,4,5,6-tetrolFormula:
C46H76O18Smiles:
CC1OC(OC2COC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)C(O)C(O)C6(CO)C(O)C(O)C45C)C3(C)C)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1OAglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C2(CO)C(O)C1OSugarmoiety:
CC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.96 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 917.1 | Num_heavy_atoms: | 64 |
| TPSA: | 298.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD01383
Formula: C30H50O6
Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C2(CO)C(O)C1O| HBA: | 6 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 506.72 | Num_heavy_atoms: | 36 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
