Glycoside
GD151784
Name:
6,14,15,16,17,18,20-heptahydroxy-7,9,13-trimethyl-6-[3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan-19-oneFormula:
C33H52O15Smiles:
C=C(CCC1(O)OC2CC3C4C(O)C(=O)C5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
C=C(CO)CCC1(O)OC2CC3C4C(O)C(=O)C5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.91 |
| AlogP: | -3.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 688.76 | Num_heavy_atoms: | 48 |
| TPSA: | 267.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD60498
Formula: C27H42O10
Smiles:
C=C(CO)CCC1(O)OC2CC3C4C(O)C(=O)C5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C2C1C| HBA: | 10 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 526.62 | Num_heavy_atoms: | 37 |
| TPSA: | 188.14 | NumAromaticRings: | 0 |
