Glycoside
GD152870
Name:
N-(7-{3,4-dihydroxy-5-[7-(4-hydroxy-1-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]oxolan-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl)-2-[2,3,4-trihydroxy-5,5-dimethyl-6-(penta-1,3-dien-1-yl)oxan-2-yl]butanamideFormula:
C44H64O12N2Smiles:
CC=CC=CC1OC(O)(C(CC)C(O)=NCC=CC=C(C)C(OC)C(C)C2OC(C=CC=CC=C(C)C(=O)C3=C(O)CCN(C)C3=O)C(O)C2O)C(O)C(O)C1(C)CAglycone:
C=CC=CC.C=CC=CC=C(C)C(=O)C1=C(O)CCN(C)C1=O.CCCC(O)=NCC=CC=C(C)C(CC)OCSugarmoiety:
CC1(C)OOC(O)(O)C(O)C1O.CO.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 17 |
| MolWt: | 813.0 | Num_heavy_atoms: | 58 |
| TPSA: | 219.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD00163
Formula: C5H8
Smiles:
C=CC=CC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 68.12 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD45642
Formula: C14H25O2N
Smiles:
CCCC(O)=NCC=CC=C(C)C(CC)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 239.36 | Num_heavy_atoms: | 17 |
| TPSA: | 41.82 | NumAromaticRings: | 0 |
AD60832
Formula: C14H17O3N
Smiles:
C=CC=CC=C(C)C(=O)C1=C(O)CCN(C)C1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 247.29 | Num_heavy_atoms: | 18 |
| TPSA: | 57.61 | NumAromaticRings: | 0 |
