Glycoside
...
GD113855

Name:
None

Formula:
C40H31O8N3

Smiles:
O=C(OC[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)c1cnn(-c2ccccc2)n1)c1ccccc1

Aglycone:
O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1.c1ccc(-n2nccn2)cc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 0 FractionCSP3: 0.1
AlogP: 6.47 Num_rotatable_bonds: 13
MolWt: 681.7 Num_heavy_atoms: 51
TPSA: 135.91 NumAromaticRings: 6

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
AD05614
Formula: C8H7N3

Smiles:
c1ccc(-n2nccn2)cc1
HBA: 3 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 1.27 Num_rotatable_bonds: 1
MolWt: 145.17 Num_heavy_atoms: 11
TPSA: 30.71 NumAromaticRings: 2

Sugarmoiety
SD00107

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