Glycoside
...
GD112534

Name:
None

Formula:
C38H32O9N4

Smiles:
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H](CO)OC(=O)c3ccccc3)c2cc1C

Aglycone:
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C.O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1

Sugarmoiety:
OCC(OO)C(OO)C(O)OO

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 2 FractionCSP3: 0.18
AlogP: 3.87 Num_rotatable_bonds: 11
MolWt: 688.69 Num_heavy_atoms: 51
TPSA: 179.77 NumAromaticRings: 4

Unique Aglycone
AD01696
Formula: C7H6O

Smiles:
O=Cc1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 1.5 Num_rotatable_bonds: 1
MolWt: 106.12 Num_heavy_atoms: 8
TPSA: 17.07 NumAromaticRings: 1
AD07263
Formula: C13H12O2N4

Smiles:
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.23
AlogP: 0.74 Num_rotatable_bonds: 0
MolWt: 256.26 Num_heavy_atoms: 19
TPSA: 80.64 NumAromaticRings: 1

Sugarmoiety
SD04267

OCC(OO)C(OO)C(O)OO