Glycoside
GD125714
Name:
3,4,5,6-tetrahydroxyoxan-2-yl 9-(hydroxymethyl)-2,2,6a,6b,8a,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C41H66O13Smiles:
CC1(C)CCC2(C(=O)OC3OC(O)C(O)C(O)C3O)CCC3(C)C(=CCC4C3(C)CCC3(C)C(C)(CO)C(OC5OCC(O)C(O)C5O)CCC43C)C2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C3(C)CCC3(C)C(C)(CO)C(O)CCC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 766.97 | Num_heavy_atoms: | 54 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD50852
Formula: C31H50O4
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C3(C)CCC3(C)C(C)(CO)C(O)CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 6.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 486.74 | Num_heavy_atoms: | 35 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
