Glycoside
GD116737
Name:
2-hydroxy-N-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,10-dien-2-yl)tricosanamideFormula:
C47H89O9NSmiles:
CCCCCCCC=CCCCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCC=CCCCCC=CC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 9.71 | Num_rotatable_bonds: | 39 |
| MolWt: | 812.23 | Num_heavy_atoms: | 57 |
| TPSA: | 172.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD46417
Formula: C41H79O4N
Smiles:
CCCCCCCC=CCCCCC=CC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 11.88 | Num_rotatable_bonds: | 36 |
| MolWt: | 650.09 | Num_heavy_atoms: | 46 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
