Glycoside
GD154548
Name:
N-[1-({5-[(5-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3-hydroxyoctadec-4-en-2-yl]dodecanamideFormula:
C50H92O18N2Smiles:
CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3N=C(C)O)C(O)C2O)C(O)C1O)N=C(O)CCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCSugarmoiety:
CC(O)=NC1C(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.92 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 36 |
| MolWt: | 1009.28 | Num_heavy_atoms: | 70 |
| TPSA: | 322.86 | NumAromaticRings: | 0 |
Unique Aglycone
AD44973
Formula: C30H59O3N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 8.84 | Num_rotatable_bonds: | 26 |
| MolWt: | 481.81 | Num_heavy_atoms: | 34 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
