Glycoside
GD154389
Name:
4-[(2,5-dimethyl-6-{3-methyl-5-[3,4,5,6-tetrahydroxy-4-(hydroxymethyl)-6-methyloxan-2-yl]penta-2,4-dien-1-yl}oxan-3-yl)carbamoyl]but-3-en-2-yl acetateFormula:
C27H43O10NSmiles:
CC(=O)OC(C)C=CC(O)=NC1CC(C)C(CC=C(C)C=CC2OC(C)(O)C(O)C(O)(CO)C2O)OC1CAglycone:
C=CC(C)=CCC1OC(C)C(N=C(O)C=CC(C)OC(C)=O)CC1CSugarmoiety:
CC1(O)OC(O)C(O)C(O)(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 541.64 | Num_heavy_atoms: | 38 |
| TPSA: | 178.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD48230
Formula: C20H31O4N
Smiles:
C=CC(C)=CCC1OC(C)C(N=C(O)C=CC(C)OC(C)=O)CC1C| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 349.47 | Num_heavy_atoms: | 25 |
| TPSA: | 68.12 | NumAromaticRings: | 0 |
