Glycoside
GD123462
Name:
5-hydroxy-3-methyl-N-(3-{5-[3-(3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-enamido)propyl]-3,6-dioxopiperazin-2-yl}propyl)pent-2-enamideFormula:
C28H46O11N4Smiles:
CC(=CC(O)=NCCCC1N=C(O)C(CCCN=C(O)C=C(C)CCOC2OC(CO)C(O)C(O)C2O)N=C1O)CCOAglycone:
CC(=CC(O)=NCCCC1N=C(O)C(CCCN=C(O)C=C(C)CCO)N=C1O)CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 17 |
| MolWt: | 614.69 | Num_heavy_atoms: | 43 |
| TPSA: | 249.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD49829
Formula: C22H36O6N4
Smiles:
CC(=CC(O)=NCCCC1N=C(O)C(CCCN=C(O)C=C(C)CCO)N=C1O)CCO| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 14 |
| MolWt: | 452.55 | Num_heavy_atoms: | 32 |
| TPSA: | 170.82 | NumAromaticRings: | 0 |
