Glycoside
GD150815
Name:
methyl 9-[(5-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]nonanoateFormula:
C30H53O18NSmiles:
COC(=O)CCCCCCCCOC1OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1N=C(C)OAglycone:
COC(=O)CCCCCCCCOSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | -3.66 | Num_rotatable_bonds: | 18 |
| MolWt: | 715.74 | Num_heavy_atoms: | 49 |
| TPSA: | 296.34 | 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 |
