Glycoside
...
GD013400

Name:
None

Formula:
C60H72O14N8

Smiles:
COc1ccc2[nH]c3c(CNC(=O)[C@]4(O)O[C@H](CO)[C@H](O)[C@H]4O)cc4cc[n+](CCN5CCC(C6CCN(CC[n+]7ccc8cc(CNC(=O)[C@]9(O)O[C@H](CO)[C@H](O)[C@H]9O)c9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1

Aglycone:
COc1ccc2[nH]c3c(CNC=O)cc4cc[n+](CCN5CCC(C6CCN(CC[n+]7ccc8cc(CNC=O)c9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1

Sugarmoiety:
OCC1OC(O)(O)C(O)C1O.OCC1OC(O)(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 12
HBD: 12 FractionCSP3: 0.47
AlogP: 0.81 Num_rotatable_bonds: 17
MolWt: 1129.28 Num_heavy_atoms: 82
TPSA: 302.78 NumAromaticRings: 8

Unique Aglycone
AD10004
Formula: C50H56O4N8

Smiles:
COc1ccc2[nH]c3c(CNC=O)cc4cc[n+](CCN5CCC(C6CCN(CC[n+]7ccc8cc(CNC=O)c9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1
HBA: 12 RingCount: 10
HBD: 4 FractionCSP3: 0.36
AlogP: 6.47 Num_rotatable_bonds: 15
MolWt: 833.05 Num_heavy_atoms: 62
TPSA: 122.48 NumAromaticRings: 8

Sugarmoiety
SD01834

OCC1OC(O)(O)C(O)C1O.OCC1OC(O)(O)C(O)C1O