Glycoside
...
GD021522

Name:
None

Formula:
C74H86O8N10

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)CCCC(=O)Nc2cccc(CN(Cc3ccccn3)Cc3ccccn3)n2)[C@H](N)[C@H](OCc2ccc3ccccc3c2)[C@H]1OCc1ccc2ccccc2c1

Aglycone:
NC1CC(N)C(OCc2ccc3ccccc3c2)C(OCCCCCCNC(=O)CCCC(=O)Nc2cccc(CN(Cc3ccccn3)Cc3ccccn3)n2)C1O.OCc1ccc2ccccc2c1.OCc1ccc2ccccc2c1

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

Other Identifiers

Properties
HBA: 18 RingCount: 11
HBD: 10 FractionCSP3: 0.36
AlogP: 9.91 Num_rotatable_bonds: 31
MolWt: 1243.56 Num_heavy_atoms: 92
TPSA: 259.57 NumAromaticRings: 9

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
AD14706
Formula: C46H58O5N8

Smiles:
NC1CC(N)C(OCc2ccc3ccccc3c2)C(OCCCCCCNC(=O)CCCC(=O)Nc2cccc(CN(Cc3ccccn3)Cc3ccccn3)n2)C1O
HBA: 13 RingCount: 6
HBD: 7 FractionCSP3: 0.41
AlogP: 5.4 Num_rotatable_bonds: 22
MolWt: 803.02 Num_heavy_atoms: 59
TPSA: 190.84 NumAromaticRings: 5

Sugarmoiety
SD00112

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