Glycoside
GD126540
Name:
2-{9-[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-1,2,10-trihydroxy-3a,5a,7a,11a,13a-pentamethyl-7-oxo-1H,2H,3H,3aH,4H,5H,5aH,7H,7aH,8H,9H,10H,11H,11aH,11bH,12H,13H,13aH,13bH-cyclopenta[a]chrysen-3-yl}propanoic acidFormula:
C40H62O16Smiles:
CC(C(=O)O)C1C(O)C(O)C2C1(C)CCC1(C)C3=CC(=O)C4(C)CC(OC5OCC(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C(O)CC4(C)C3CCC21CAglycone:
CC(C(=O)O)C1C(O)C(O)C2C1(C)CCC1(C)C3=CC(=O)C4(C)CC(O)C(O)CC4(C)C3CCC21CSugarmoiety:
OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.9 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 798.92 | Num_heavy_atoms: | 56 |
| TPSA: | 273.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD51215
Formula: C29H44O7
Smiles:
CC(C(=O)O)C1C(O)C(O)C2C1(C)CCC1(C)C3=CC(=O)C4(C)CC(O)C(O)CC4(C)C3CCC21C| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 504.66 | Num_heavy_atoms: | 36 |
| TPSA: | 135.29 | NumAromaticRings: | 0 |
