Glycoside
GD150018
Name:
2-[2,4-dihydroxy-5,5-dimethyl-6-(penta-1,3-dien-1-yl)oxan-2-yl]-N-(7-{3,4-dihydroxy-5-[7-(4-hydroxy-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]oxolan-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl)butanamideFormula:
C44H62O11N2Smiles:
CC=CC=CC1OC(O)(C(CC)C(O)=NCC=CC=C(C)C(OC)C(C)C2OC(C=CC=CC=C(C)C(=O)c3c(O)ccn(C)c3=O)C(O)C2O)CC(O)C1(C)CAglycone:
C=CC=CC=C(C)C(=O)c1c(O)ccn(C)c1=O.CC=CC=CC1OC(O)(C(CC)C(O)=NCC=CC=C(C)C(CC)OC)CC(O)C1(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 17 |
| MolWt: | 794.98 | Num_heavy_atoms: | 57 |
| TPSA: | 200.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD06047
Formula: C14H15O3N
Smiles:
C=CC=CC=C(C)C(=O)c1c(O)ccn(C)c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 245.28 | Num_heavy_atoms: | 18 |
| TPSA: | 59.3 | NumAromaticRings: | 1 |
AD51314
Formula: C26H43O5N
Smiles:
CC=CC=CC1OC(O)(C(CC)C(O)=NCC=CC=C(C)C(CC)OC)CC(O)C1(C)C| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 11 |
| MolWt: | 449.63 | Num_heavy_atoms: | 32 |
| TPSA: | 91.51 | NumAromaticRings: | 0 |
