Glycoside
GD116416
Name:
N-[1-({5-[(5-{[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}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]octadec-9-enamideFormula:
C62H112O23N2Smiles:
CCCCCCCCC=CCCCCCCCC(O)=NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3N=C(C)O)C(O)C2O)C(O)C1O)C(O)C=CCCCCCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCCCCSugarmoiety:
CC(O)=NC1C(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 15 | FractionCSP3: | 0.9 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 44 |
| MolWt: | 1253.57 | Num_heavy_atoms: | 87 |
| TPSA: | 402.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD46223
Formula: C36H69O3N
Smiles:
CCCCCCCCC=CCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 10.96 | Num_rotatable_bonds: | 31 |
| MolWt: | 563.95 | Num_heavy_atoms: | 40 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
Sugarmoiety
SD04446
CC(O)=NC1C(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O