Glycoside
...
GD006230

Name:
None

Formula:
C68H82O7N8

Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](OCc3ccc4ccccc4c3)[C@H]2OCCCCCCNC(=O)CCCCN(Cc2ccccn2)Cc2ccccn2)[C@H](N)[C@H](OCc2ccc3ccccc3c2)[C@H]1OCc1ccc2ccccc2c1

Aglycone:
NC1CC(N)C(OCc2ccc3ccccc3c2)C(OCCCCCCNC(=O)CCCCN(Cc2ccccn2)Cc2ccccn2)C1O.OCc1ccc2ccccc2c1.OCc1ccc2ccccc2c1

Sugarmoiety:
NCC1OC(O)C(N)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 10
HBD: 9 FractionCSP3: 0.4
AlogP: 9.38 Num_rotatable_bonds: 29
MolWt: 1123.45 Num_heavy_atoms: 83
TPSA: 217.58 NumAromaticRings: 8

Unique Aglycone
AD01045
Formula: C11H10O

Smiles:
OCc1ccc2ccccc2c1
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 0.09
AlogP: 2.33 Num_rotatable_bonds: 1
MolWt: 158.2 Num_heavy_atoms: 12
TPSA: 20.23 NumAromaticRings: 2
AD05172
Formula: C40H54O4N6

Smiles:
NC1CC(N)C(OCc2ccc3ccccc3c2)C(OCCCCCCNC(=O)CCCCN(Cc2ccccn2)Cc2ccccn2)C1O
HBA: 10 RingCount: 5
HBD: 6 FractionCSP3: 0.47
AlogP: 4.87 Num_rotatable_bonds: 20
MolWt: 682.91 Num_heavy_atoms: 50
TPSA: 148.85 NumAromaticRings: 4

Sugarmoiety
SD00112

NCC1OC(O)C(N)C(O)C1O