Glycoside
GD122227
Name:
4-{[6-(5-{4-[(acetyloxy)methyl]-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl}-3-methylpenta-2,4-dien-1-yl)-2,5-dimethyloxan-3-yl]carbamoyl}but-3-en-2-yl acetateFormula:
C29H45O11NSmiles:
CC(=O)OCC1(O)C(O)C(C=CC(C)=CCC2OC(C)C(N=C(O)C=CC(C)OC(C)=O)CC2C)OC(C)(O)C1OAglycone:
C=CC(C)=CCC1OC(C)C(N=C(O)C=CC(C)OC(C)=O)CC1C.COC(C)=OSugarmoiety:
CC1(O)OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 10 |
| MolWt: | 583.68 | Num_heavy_atoms: | 41 |
| TPSA: | 184.57 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
