Glycoside
GD147970
Name:
methyl 9-({3-[(5-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-methyloxan-2-yl}oxy)nonanoateFormula:
C30H53O17NSmiles:
COC(=O)CCCCCCCCOC1OC(C)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C(O)C1OAglycone:
COC(=O)CCCCCCCCOSugarmoiety:
CC(O)=NC1C(OC2C(CO)OC(OC3C(O)OC(C)C(O)C3O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | -2.63 | Num_rotatable_bonds: | 17 |
| MolWt: | 699.74 | Num_heavy_atoms: | 48 |
| TPSA: | 276.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD00933
Formula: C10H20O3
Smiles:
COC(=O)CCCCCCCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 8 |
| MolWt: | 188.27 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
