Glycoside

GD005793
Name:
NoneFormula:
C40H46O10N8Smiles:
NC[C@@H]1O[C@H](O[C@H]2[C@H](OC(=O)Nc3ccccc3)[C@@H](OC(=O)Nc3ccccc3)[C@@H](N)C[C@H]2N)[C@H](N)[C@H](OC(=O)Nc2ccccc2)[C@H]1OC(=O)Nc1ccccc1Aglycone:
NC1CC(N)C(OC(=O)Nc2ccccc2)C(OC(=O)Nc2ccccc2)C1O.O=C(O)Nc1ccccc1.O=C(O)Nc1ccccc1Sugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
HBA: | 18 | RingCount: | 6 |
HBD: | 12 | FractionCSP3: | 0.3 |
AlogP: | 3.91 | Num_rotatable_bonds: | 11 |
MolWt: | 798.85 | Num_heavy_atoms: | 58 |
TPSA: | 275.86 | NumAromaticRings: | 4 |
Unique Aglycone
AD03530
Formula: C7H7O2N
Smiles:
O=C(O)Nc1ccccc1HBA: | 3 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | 1.78 | Num_rotatable_bonds: | 1 |
MolWt: | 137.14 | Num_heavy_atoms: | 10 |
TPSA: | 49.33 | NumAromaticRings: | 1 |
AD04868
Formula: C20H24O5N4
Smiles:
NC1CC(N)C(OC(=O)Nc2ccccc2)C(OC(=O)Nc2ccccc2)C1OHBA: | 9 | RingCount: | 3 |
HBD: | 7 | FractionCSP3: | 0.3 |
AlogP: | 1.64 | Num_rotatable_bonds: | 4 |
MolWt: | 400.44 | Num_heavy_atoms: | 29 |
TPSA: | 148.93 | NumAromaticRings: | 2 |