Glycoside
GD120531
Name:
4-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-1,4-dihydroxy-1-methyl-7-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-decahydroazulen-2-oneFormula:
C27H46O15Smiles:
CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(O)(COC2(CO)OC(CO)C(O)C2O)C2CC(=O)C(C)(O)C2C1Aglycone:
CC(C)(O)C1CCC(O)(CO)C2CC(=O)C(C)(O)C2C1Sugarmoiety:
OCC1OC(O)(CO)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | -4.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 610.65 | Num_heavy_atoms: | 42 |
| TPSA: | 256.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD48436
Formula: C15H26O5
Smiles:
CC(C)(O)C1CCC(O)(CO)C2CC(=O)C(C)(O)C2C1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.37 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
