Glycoside

GD127430
Name:
Gpl-9IFormula:
C95H164O34N4Smiles:
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(OC3OC(C(=O)O)C(OC4OC(C)C(OC(C)=O)C(OC)C4OC)C(O)C3O)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(C(=O)O)OC(OC3C(C)OC(OC4C(O)C(C)OC(OC5C(O)OC(C)C(O)C5O)C4O)C(OC)C3OC)C(O)C2O)OC(C)C(OC(C)=O)C1OCOther Identifiers
Properties
HBA: | 38 | RingCount: | 7 |
HBD: | 13 | FractionCSP3: | 0.87 |
AlogP: | 9.31 | Num_rotatable_bonds: | 61 |
MolWt: | 1906.35 | Num_heavy_atoms: | 133 |
TPSA: | 521.94 | 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)OHBA: | 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

SD06774
COC1C(C)OC(O)C(O)C1OC.COC1C(OC2C(C(=O)O)OC(OC3C(C)OC(OC4C(O)C(C)OC(OC5C(O)OC(C)C(O)C5O)C4O)C(OC)C3OC)C(O)C2O)OC(C)C(OC(C)=O)C1OC