Glycoside
GD144800
Name:
2-{2-[2-(3-{[3,5-bis(acetyloxy)-6-methyloxan-2-yl]oxy}-2-{2-[2-(2-hexanamido-3-phenylpropanamido)-3-hydroxybutanamido]propanamido}butanamido)propanamido]propoxy}-4,5-dimethoxy-6-methyloxan-3-yl acetateFormula:
C52H82O19N6Smiles:
CCCCCC(O)=NC(Cc1ccccc1)C(O)=NC(C(O)=NC(C)C(O)=NC(C(O)=NC(C)C(O)=NC(C)COC1OC(C)C(OC)C(OC)C1OC(C)=O)C(C)OC1OC(C)C(OC(C)=O)CC1OC(C)=O)C(C)OAglycone:
CCCCCC(O)=NC(Cc1ccccc1)C(O)=NC(C(O)=NC(C)C(O)=NC(C(O)=NC(C)C(O)=NC(C)CO)C(C)O)C(C)OSugarmoiety:
CC(=O)OC1CC(OC(C)=O)C(O)OC1C.COC1C(C)OC(O)C(OC(C)=O)C1OCOther Identifiers
Properties
| HBA: | 25 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 29 |
| MolWt: | 1095.25 | Num_heavy_atoms: | 77 |
| TPSA: | 350.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD58162
Formula: C32H52O9N6
Smiles:
CCCCCC(O)=NC(Cc1ccccc1)C(O)=NC(C(O)=NC(C)C(O)=NC(C(O)=NC(C)C(O)=NC(C)CO)C(C)O)C(C)O| HBA: | 15 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 20 |
| MolWt: | 664.8 | Num_heavy_atoms: | 47 |
| TPSA: | 256.23 | NumAromaticRings: | 1 |
