Glycoside
...
GD013534

Name:
None

Formula:
C35H31O11N3

Smiles:
CC(=O)OCC1OC(n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CN1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 1 FractionCSP3: 0.31
AlogP: 3.91 Num_rotatable_bonds: 6
MolWt: 669.64 Num_heavy_atoms: 49
TPSA: 172.53 NumAromaticRings: 5

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 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
AD06878
Formula: C21H13O2N3

Smiles:
CN1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O
HBA: 5 RingCount: 6
HBD: 2 FractionCSP3: 0.05
AlogP: 4.18 Num_rotatable_bonds: 0
MolWt: 339.35 Num_heavy_atoms: 26
TPSA: 68.96 NumAromaticRings: 5

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O