Glycoside
GD150311
Name:
2-[(4,5-dihydroxy-2-{[1-(1-hydroxy-5-methylhex-4-en-1-yl)-9a-(hydroxymethyl)-3a,3b-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C39H66O13Smiles:
CC(C)=CCCC(O)C1CCC2(C)C1CCC1C3(CO)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)CC3CCC12CAglycone:
CC(C)=CCCC(O)C1CCC2(C)C1CCC1C3(CO)CCC(O)CC3CCC12CSugarmoiety:
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: | 1.12 | Num_rotatable_bonds: | 11 |
| MolWt: | 742.94 | Num_heavy_atoms: | 52 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD60054
Formula: C27H46O3
Smiles:
CC(C)=CCCC(O)C1CCC2(C)C1CCC1C3(CO)CCC(O)CC3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.66 | Num_heavy_atoms: | 30 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
