Glycoside
GD131705
Name:
N-{1-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-hydroxyoctadec-4-en-2-yl}pentacosanamideFormula:
C61H115O18NSmiles:
CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.95 |
| AlogP: | 7.39 | Num_rotatable_bonds: | 48 |
| MolWt: | 1150.58 | Num_heavy_atoms: | 80 |
| TPSA: | 310.5 | 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 |
