Glycoside
GD149631
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]octadecanamideFormula:
C62H114O23N2Smiles:
CCCCCCCCCCCCCC=CC(O)C(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)N=C(O)CCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCSugarmoiety:
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: | 0.94 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 45 |
| MolWt: | 1255.59 | Num_heavy_atoms: | 87 |
| TPSA: | 402.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD45243
Formula: C36H71O3N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 11.18 | Num_rotatable_bonds: | 32 |
| MolWt: | 565.97 | 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