Glycoside
...
GD112425

Name:
None

Formula:
C35H28O11N4

Smiles:
COC(=O)c1cc([C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H](COC(=O)c2cccnc2)OC(=O)c2cccnc2)oc1C

Aglycone:
COC(=O)c1ccoc1C.O=Cc1cccnc1.O=Cc1cccnc1.O=Cc1cccnc1.O=Cc1cccnc1

Sugarmoiety:
OOCC(OO)C(OO)C(O)OO

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 0 FractionCSP3: 0.17
AlogP: 4.16 Num_rotatable_bonds: 13
MolWt: 680.63 Num_heavy_atoms: 50
TPSA: 196.2 NumAromaticRings: 5

Unique Aglycone
AD12964
Formula: C6H5ON

Smiles:
O=Cc1cccnc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 0.89 Num_rotatable_bonds: 1
MolWt: 107.11 Num_heavy_atoms: 8
TPSA: 29.96 NumAromaticRings: 1
AD13930
Formula: C7H8O3

Smiles:
COC(=O)c1ccoc1C
HBA: 3 RingCount: 1
HBD: 0 FractionCSP3: 0.29
AlogP: 1.37 Num_rotatable_bonds: 1
MolWt: 140.14 Num_heavy_atoms: 10
TPSA: 39.44 NumAromaticRings: 1

Sugarmoiety
SD00107

OOCC(OO)C(OO)C(O)OO