Glycoside
GD132993
Name:
1,5-diheptadecyl 2-[2-(2-{[2-(benzyloxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido)propanamido]pentanedioateFormula:
C60H105O12N3Smiles:
CCCCCCCCCCCCCCCCCOC(=O)CCC(N=C(O)C(C)N=C(O)C(C)OC1C(O)C(CO)OC(OCc2ccccc2)C1N=C(C)O)C(=O)OCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCOC(=O)CCC(N=C(O)C(C)N=C(O)C(C)O)C(=O)OCCCCCCCCCCCCCCCCC.OCc1ccccc1Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 13.68 | Num_rotatable_bonds: | 47 |
| MolWt: | 1060.51 | Num_heavy_atoms: | 75 |
| TPSA: | 218.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD53840
Formula: C45H86O7N2
Smiles:
CCCCCCCCCCCCCCCCCOC(=O)CCC(N=C(O)C(C)N=C(O)C(C)O)C(=O)OCCCCCCCCCCCCCCCCC| HBA: | 9 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 12.65 | Num_rotatable_bonds: | 40 |
| MolWt: | 767.19 | Num_heavy_atoms: | 54 |
| TPSA: | 138.01 | NumAromaticRings: | 0 |
