Glycoside
GD131118
Name:
7-[3-hydroxy-5-(3-hydroxy-4-methyl-8-{2-[2,3,4-trihydroxy-5,5-dimethyl-6-(penta-1,3-dien-1-yl)oxan-2-yl]propanamido}octa-4,6-dien-2-yl)oxolan-2-yl]hepta-2,4,6-trienoic acidFormula:
C35H51O10NSmiles:
CC=CC=CC1OC(O)(C(C)C(O)=NCC=CC=C(C)C(O)C(C)C2CC(O)C(C=CC=CC=CC(=O)O)O2)C(O)C(O)C1(C)CAglycone:
C=CC=CC.CCC(O)=NCC=CC=C(C)C(O)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1Sugarmoiety:
CC1(C)C(O)OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 14 |
| MolWt: | 645.79 | Num_heavy_atoms: | 46 |
| TPSA: | 189.5 | 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 |
AD53128
Formula: C23H33O6N
Smiles:
CCC(O)=NCC=CC=C(C)C(O)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 11 |
| MolWt: | 419.52 | Num_heavy_atoms: | 30 |
| TPSA: | 119.58 | NumAromaticRings: | 0 |
