Glycoside
GD131506
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]pentacosanamideFormula:
C63H118O18N2Smiles:
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)CCCCCCCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCCSugarmoiety:
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: | 0.94 |
| AlogP: | 8.37 | Num_rotatable_bonds: | 49 |
| MolWt: | 1191.63 | Num_heavy_atoms: | 83 |
| TPSA: | 322.86 | NumAromaticRings: | 0 |
Unique Aglycone
AD45627
Formula: C43H85O3N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 13.91 | Num_rotatable_bonds: | 39 |
| MolWt: | 664.16 | Num_heavy_atoms: | 47 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
