Glycoside
...
GD141444

Name:
2-[(5-{[3-(acetyloxy)-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}-4-(benzyloxy)-6-[(benzyloxy)methyl]-2-methoxyoxan-3-yl)oxy]-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]oxan-3-yl acetate

Formula:
C79H86O18

Smiles:
COC1OC(COCc2ccccc2)C(OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OC(C)=O)C(OCc2ccccc2)C1OC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OC(C)=O

Aglycone:
COCc1ccccc1.COCc1ccccc1.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:
COC1OC(O)C(OC2OC(O)OC(O)C2OC(C)=O)C(O)C1OC1OC(CO)C(O)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 18 RingCount: 11
HBD: 0 FractionCSP3: 0.37
AlogP: 12.02 Num_rotatable_bonds: 34
MolWt: 1323.54 Num_heavy_atoms: 97
TPSA: 181.82 NumAromaticRings: 8

Unique Aglycone
AD00042
Formula: C8H10O

Smiles:
COCc1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.25
AlogP: 1.83 Num_rotatable_bonds: 2
MolWt: 122.17 Num_heavy_atoms: 9
TPSA: 9.23 NumAromaticRings: 1
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1

Sugarmoiety
SD08715

COC1OC(O)C(OC2OC(O)OC(O)C2OC(C)=O)C(O)C1OC1OC(CO)C(O)C(O)C1OC(C)=O