Glycoside

GD021674
Name:
NoneFormula:
C42H48O18N2Smiles:
COC(=O)Cc1c(-c2c(CC(=O)OC)c3ccccc3n2C2OC(COC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(O)C(O)C2O)[nH]c2ccccc12Aglycone:
COC(=O)Cc1c(-c2[nH]c3ccccc3c2CC(=O)OC)[nH]c2ccccc12.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(OCC2OC(O)C(O)C(O)C2O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 20 | RingCount: | 6 |
HBD: | 4 | FractionCSP3: | 0.48 |
AlogP: | 1.3 | Num_rotatable_bonds: | 14 |
MolWt: | 868.84 | Num_heavy_atoms: | 62 |
TPSA: | 266.9 | NumAromaticRings: | 4 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=OHBA: | 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 |
AD14772
Formula: C22H20O4N2
Smiles:
COC(=O)Cc1c(-c2[nH]c3ccccc3c2CC(=O)OC)[nH]c2ccccc12HBA: | 6 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.18 |
AlogP: | 3.75 | Num_rotatable_bonds: | 5 |
MolWt: | 376.41 | Num_heavy_atoms: | 28 |
TPSA: | 84.18 | NumAromaticRings: | 4 |