Glycoside
...
GD001099

Name:
None

Formula:
C48H54O7N2

Smiles:
CC(=O)NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccc3ccccc3c2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

Aglycone:
COCCCCCNC(C)=O.OCCc1c[nH]c2ccccc12.OCc1ccc2ccccc2c1.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 7
HBD: 2 FractionCSP3: 0.35
AlogP: 8.68 Num_rotatable_bonds: 21
MolWt: 770.97 Num_heavy_atoms: 57
TPSA: 100.27 NumAromaticRings: 6

Unique Aglycone
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
AD00863
Formula: C10H11ON

Smiles:
OCCc1c[nH]c2ccccc12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.2
AlogP: 1.7 Num_rotatable_bonds: 2
MolWt: 161.2 Num_heavy_atoms: 12
TPSA: 36.02 NumAromaticRings: 2
AD01045
Formula: C11H10O

Smiles:
OCc1ccc2ccccc2c1
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 0.09
AlogP: 2.33 Num_rotatable_bonds: 1
MolWt: 158.2 Num_heavy_atoms: 12
TPSA: 20.23 NumAromaticRings: 2
AD01145
Formula: C8H17O2N

Smiles:
COCCCCCNC(C)=O
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.88
AlogP: 0.94 Num_rotatable_bonds: 6
MolWt: 159.23 Num_heavy_atoms: 11
TPSA: 38.33 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O