Glycoside
GD133140
Name:
2-[(4,5-dihydroxy-2-{[11-hydroxy-1-(2-hydroxy-7-methyloct-6-en-2-yl)-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C43H74O13Smiles:
CC(C)=CCCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12CAglycone:
CC(C)=CCCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 11 |
| MolWt: | 799.05 | Num_heavy_atoms: | 56 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD45997
Formula: C31H54O3
Smiles:
CC(C)=CCCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 6.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.77 | Num_heavy_atoms: | 34 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
