Glycoside
GD127622
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,2,6b,9,12a-pentamethyl-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-octadecahydropicene-4a-carboxylateFormula:
C39H60O12Smiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3C(=C2C1C)C=CC1C3(C)CCC2C(C)C(OC3OCC(O)C(O)C3O)CCC21CAglycone:
CC1CCC2(C(=O)O)CCC3C(=C2C1C)C=CC1C3(C)CCC2C(C)C(O)CCC21CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.87 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 720.9 | Num_heavy_atoms: | 51 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD51682
Formula: C28H42O3
Smiles:
CC1CCC2(C(=O)O)CCC3C(=C2C1C)C=CC1C3(C)CCC2C(C)C(O)CCC21C| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 6.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 426.64 | Num_heavy_atoms: | 31 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
