Glycoside

GD021522
Name:
NoneFormula:
C74H86O8N10Smiles:
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]1OCc1ccc2ccccc2c1Aglycone:
NC1CC(N)C(OCc2ccc3ccccc3c2)C(OCCCCCCNC(=O)CCCC(=O)Nc2cccc(CN(Cc3ccccn3)Cc3ccccn3)n2)C1O.OCc1ccc2ccccc2c1.OCc1ccc2ccccc2c1Sugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther 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:
OCc1ccc2ccccc2c1HBA: | 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)C1OHBA: | 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 |