Glycoside
...
GD112290

Name:
None

Formula:
C38H29O10N5

Smiles:
O=C(O[C@H]1[C@H](OC(=O)c2ccccc2)[C@@H](Cn2nnc3c(=O)[nH]cnc32)O[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

Aglycone:
Cn1nnc2c(=O)[nH]cnc21.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 1 FractionCSP3: 0.16
AlogP: 3.77 Num_rotatable_bonds: 10
MolWt: 715.68 Num_heavy_atoms: 53
TPSA: 190.89 NumAromaticRings: 6

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD44762
Formula: C5H5ON5

Smiles:
Cn1nnc2c(=O)[nH]cnc21
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.2
AlogP: -0.95 Num_rotatable_bonds: 0
MolWt: 151.13 Num_heavy_atoms: 11
TPSA: 76.46 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O