Glycoside
GD139666
Name:
5-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-3,8-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carbaldehydeFormula:
C42H68O14Smiles:
CC1(C)CCC2(C)C(OC3OC(CO)C(O)C(O)C3O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5C(O)CC43C)C2C1Aglycone:
CC1(C)CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5C(O)CC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 796.99 | Num_heavy_atoms: | 56 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD53554
Formula: C30H48O4
Smiles:
CC1(C)CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5C(O)CC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
