Glycoside
GD126442
Name:
2,3,13,14-tetrahydroxy-5,9-dimethyl-14-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylic acidFormula:
C26H42O12Smiles:
CC1(C(=O)O)CCCC2(C)C1C(O)C(O)C13CC(O)(CCC21)C(O)(COC1OC(CO)C(O)C(O)C1O)C3Aglycone:
CC1(C(=O)O)CCCC2(C)C1C(O)C(O)C13CC(O)(CO)C(O)(CCC21)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.96 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 546.61 | Num_heavy_atoms: | 38 |
| TPSA: | 217.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD51164
Formula: C20H32O7
Smiles:
CC1(C(=O)O)CCCC2(C)C1C(O)C(O)C13CC(O)(CO)C(O)(CCC21)C3| HBA: | 7 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 384.47 | Num_heavy_atoms: | 27 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
