Glycoside
GD114274
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1-hydroxy-9-(hydroxymethyl)-1,2,2,6a,6b,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:
C42H68O14Smiles:
CC1(CO)C(OC2OCC(O)C(O)C2O)CCC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)OC4OC(CO)C(O)C(O)C4O)(CCC(C)(C)C3(C)O)CCC21CAglycone:
CC1(CO)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)O)(CCC(C)(C)C3(C)O)CCC21CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 796.99 | Num_heavy_atoms: | 56 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD44948
Formula: C31H50O5
Smiles:
CC1(CO)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)O)(CCC(C)(C)C3(C)O)CCC21C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 502.74 | Num_heavy_atoms: | 36 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
