Glycoside
GD000712
Name:
NoneFormula:
C30H33O5N8ClSmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCc6ccc(Cl)cc6)cc5)CC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(N2CCN(c3ccc(OCc4ccc(Cl)cc4)cc3)CC2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 8 |
| MolWt: | 609.09 | Num_heavy_atoms: | 43 |
| TPSA: | 164.12 | NumAromaticRings: | 4 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD00762
Formula: C23H21ON7Cl
Smiles:
Nc1nc(N2CCN(c3ccc(OCc4ccc(Cl)cc4)cc3)CC2)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 434.91 | Num_heavy_atoms: | 31 |
| TPSA: | 93.97 | NumAromaticRings: | 3 |
