Glycoside
GD126329
Name:
2-hydroxy-N-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8,10-trien-2-yl)hexacos-17-enimidic acidFormula:
C50H91O9NSmiles:
CCCCCCCC=CC=CCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)C(O)CCCCCCCCCCCCCCC=CCCCCCCCCAglycone:
CCCCCCCC=CC=CCCC=CC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCC=CCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | 10.43 | Num_rotatable_bonds: | 40 |
| MolWt: | 850.28 | Num_heavy_atoms: | 60 |
| TPSA: | 172.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD51106
Formula: C44H81O4N
Smiles:
CCCCCCCC=CC=CCCC=CC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCC=CCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 12.6 | Num_rotatable_bonds: | 37 |
| MolWt: | 688.13 | Num_heavy_atoms: | 49 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
