Glycoside
GD121103
Name:
7-[3-hydroxy-5-(3-methoxy-5-methyl-8-{2-[2,4,5-trihydroxy-5-methyl-6-(penta-1,3-dien-1-yl)oxan-2-yl]butanamido}octa-4,6-dien-2-yl)oxolan-2-yl]hepta-2,4,6-trienoic acidFormula:
C36H53O10NSmiles:
CC=CC=CC1OC(O)(C(CC)C(O)=NCC=CC(C)=CC(OC)C(C)C2CC(O)C(C=CC=CC=CC(=O)O)O2)CC(O)C1(C)OAglycone:
C=CC=CC.CCCC(O)=NCC=CC(C)=CC(OC)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1Sugarmoiety:
CC1(O)OOC(O)(O)CC1O.COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 16 |
| MolWt: | 659.82 | Num_heavy_atoms: | 47 |
| TPSA: | 178.5 | 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 |
AD48714
Formula: C25H37O6N
Smiles:
CCCC(O)=NCC=CC(C)=CC(OC)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 13 |
| MolWt: | 447.57 | Num_heavy_atoms: | 32 |
| TPSA: | 108.58 | NumAromaticRings: | 0 |
