Glycoside
GD120952
Name:
N-(3,5-dihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptacos-9-en-2-yl)pentadecanamideFormula:
C48H93O9NSmiles:
CCCCCCCCCCCCCCCCCC=CCCCC(O)CC(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCC=CCCCC(O)CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 10.32 | Num_rotatable_bonds: | 41 |
| MolWt: | 828.27 | Num_heavy_atoms: | 58 |
| TPSA: | 172.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD48640
Formula: C42H83O4N
Smiles:
CCCCCCCCCCCCCCCCCC=CCCCC(O)CC(O)C(CO)N=C(O)CCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 12.49 | Num_rotatable_bonds: | 38 |
| MolWt: | 666.13 | Num_heavy_atoms: | 47 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
