Glycoside
GD116785
Name:
2-hydroxy-N-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8,10-trien-2-yl)pentacos-16-enimidic acidFormula:
C49H89O9NSmiles:
CCCCCCCC=CC=CCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)C(O)CCCCCCCCCCCCCC=CCCCCCCCCAglycone:
CCCCCCCC=CC=CCCC=CC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCC=CCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | 10.04 | Num_rotatable_bonds: | 39 |
| MolWt: | 836.25 | Num_heavy_atoms: | 59 |
| TPSA: | 172.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD46449
Formula: C43H79O4N
Smiles:
CCCCCCCC=CC=CCCC=CC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCC=CCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 12.21 | Num_rotatable_bonds: | 36 |
| MolWt: | 674.11 | Num_heavy_atoms: | 48 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
