Glycoside
...
GD109958

Name:
None

Formula:
C31H31O12N

Smiles:
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc4ncccc4c3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(Cc1ccc2ncccc2c1)c1ccc(O)cc1O

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 1 FractionCSP3: 0.35
AlogP: 2.83 Num_rotatable_bonds: 10
MolWt: 609.58 Num_heavy_atoms: 44
TPSA: 173.85 NumAromaticRings: 3

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
AD44582
Formula: C17H13O3N

Smiles:
O=C(Cc1ccc2ncccc2c1)c1ccc(O)cc1O
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.06
AlogP: 3.07 Num_rotatable_bonds: 3
MolWt: 279.3 Num_heavy_atoms: 21
TPSA: 70.42 NumAromaticRings: 3

Sugarmoiety
SD00012

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