Glycoside
GD133193
Name:
2-{[2-(7,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-7-methyloct-6-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C43H74O14Smiles:
CC(C)=CCCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12CAglycone:
CC(C)=CCCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 11 |
| MolWt: | 815.05 | Num_heavy_atoms: | 57 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD45865
Formula: C31H54O4
Smiles:
CC(C)=CCCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 5.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.77 | Num_heavy_atoms: | 35 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
