Glycoside
GD125563
Name:
Acetyl-Gpl-2Formula:
C81H142O24N4Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)=NC(Cc1ccccc1)C(O)=NC(C(O)=NC(C)C(O)=NC(C)COC1OC(C)C(OC)C(OC)C1O)C(C)OC1OC(C)C(O)C(O)C1OC1OC(C)C(O)C(OC2OC(C)C(OC(C)=O)C(OC)C2OC)C1OAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)=NC(Cc1ccccc1)C(O)=NC(C(O)=NC(C)C(O)=NC(C)CO)C(C)OSugarmoiety:
COC1C(C)OC(O)C(O)C1OC.COC1C(OC2C(O)C(C)OC(OC3C(O)OC(C)C(O)C3O)C2O)OC(C)C(OC(C)=O)C1OCOther Identifiers
Properties
| HBA: | 28 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.86 |
| AlogP: | 11.23 | Num_rotatable_bonds: | 54 |
| MolWt: | 1556.03 | Num_heavy_atoms: | 109 |
| TPSA: | 388.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD46810
Formula: C51H92O7N4
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)=NC(Cc1ccccc1)C(O)=NC(C(O)=NC(C)C(O)=NC(C)CO)C(C)O| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 12.64 | Num_rotatable_bonds: | 41 |
| MolWt: | 873.32 | Num_heavy_atoms: | 62 |
| TPSA: | 191.05 | NumAromaticRings: | 1 |
Sugarmoiety
SD06495
COC1C(C)OC(O)C(O)C1OC.COC1C(OC2C(O)C(C)OC(OC3C(O)OC(C)C(O)C3O)C2O)OC(C)C(OC(C)=O)C1OC