Glycoside
GD137499
Name:
12-methyl-6-methylidene-12-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-17-oxapentacyclo[7.6.2.1âµ,â¸.0¹,¹¹.0²,â¸]octadecane-7,9,10,13,15-pentolFormula:
C26H40O12Smiles:
C=C1C2CCC3C45COC(O)(C(O)C4C(C)(COC4OC(CO)C(O)C(O)C4O)C(O)CC5O)C3(C2)C1OAglycone:
C=C1C2CCC3C45COC(O)(C(O)C4C(C)(CO)C(O)CC5O)C3(C2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | -3.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 544.59 | Num_heavy_atoms: | 38 |
| TPSA: | 209.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD55547
Formula: C20H30O7
Smiles:
C=C1C2CCC3C45COC(O)(C(O)C4C(C)(CO)C(O)CC5O)C3(C2)C1O| HBA: | 7 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 382.45 | Num_heavy_atoms: | 27 |
| TPSA: | 130.61 | NumAromaticRings: | 0 |
