Glycoside
...
GD112447

Name:
None

Formula:
C38H41O9N5

Smiles:
COCCO[C@@H]1[C@H](OC(C)=O)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1cc(C)c(-n2cncn2)nc1=O

Aglycone:
COCCO.COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1.Cc1c[nH]c(=O)nc1-n1cncn1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 0 FractionCSP3: 0.34
AlogP: 4.02 Num_rotatable_bonds: 15
MolWt: 711.77 Num_heavy_atoms: 52
TPSA: 147.28 NumAromaticRings: 5

Unique Aglycone
AD00384
Formula: C3H8O2

Smiles:
COCCO
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 76.09 Num_heavy_atoms: 5
TPSA: 29.46 NumAromaticRings: 0
AD07921
Formula: C22H22O3

Smiles:
COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1
HBA: 3 RingCount: 3
HBD: 0 FractionCSP3: 0.18
AlogP: 4.64 Num_rotatable_bonds: 6
MolWt: 334.42 Num_heavy_atoms: 25
TPSA: 27.69 NumAromaticRings: 3
AD44770
Formula: C7H7ON5

Smiles:
Cc1c[nH]c(=O)nc1-n1cncn1
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.14
AlogP: -0.34 Num_rotatable_bonds: 1
MolWt: 177.17 Num_heavy_atoms: 13
TPSA: 76.46 NumAromaticRings: 2

Sugarmoiety
SD00772

CC(=O)OC1C(O)OC(O)C1O