Glycoside
...
GD008653

Name:
None

Formula:
C42H50O6N2

Smiles:
OCCCCCNCC1OC(OCCc2cc3ccccc3[nH]2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

Aglycone:
CNCCCCCO.OCCc1cc2ccccc2[nH]1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 8 RingCount: 6
HBD: 3 FractionCSP3: 0.38
AlogP: 6.96 Num_rotatable_bonds: 20
MolWt: 678.87 Num_heavy_atoms: 50
TPSA: 94.2 NumAromaticRings: 5

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
AD00948
Formula: C10H11ON

Smiles:
OCCc1cc2ccccc2[nH]1
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
AD06883
Formula: C6H15ON

Smiles:
CNCCCCCO
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: 0.37 Num_rotatable_bonds: 5
MolWt: 117.19 Num_heavy_atoms: 8
TPSA: 32.26 NumAromaticRings: 0

Sugarmoiety
SD00017

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