Glycoside
...
GD031160

Name:
None

Formula:
C48H37O7N7

Smiles:
O=C(OC[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O)c1ccc(-c2c3nc(c(-c4ccncc4)c4ccc([nH]4)c(-c4ccncc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1

Aglycone:
COC(=O)c1ccc(-c2c3nc(c(-c4ccncc4)c4ccc([nH]4)c(-c4ccncc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1

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

Other Identifiers

Properties
HBA: 14 RingCount: 10
HBD: 6 FractionCSP3: 0.12
AlogP: 6.47 Num_rotatable_bonds: 7
MolWt: 823.87 Num_heavy_atoms: 62
TPSA: 212.48 NumAromaticRings: 7

Unique Aglycone
AD13117
Formula: C43H29O2N7

Smiles:
COC(=O)c1ccc(-c2c3nc(c(-c4ccncc4)c4ccc([nH]4)c(-c4ccncc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1
HBA: 9 RingCount: 9
HBD: 2 FractionCSP3: 0.02
AlogP: 9.3 Num_rotatable_bonds: 5
MolWt: 675.75 Num_heavy_atoms: 52
TPSA: 122.33 NumAromaticRings: 7

Sugarmoiety
SD00017

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