Glycoside
GD015830
Name:
NoneFormula:
C31H35O4N9Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4c[nH]cn4)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(NCCc3c[nH]cn3)nc2NCC(c2ccccc2)c2ccccc2)[N]1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 12 |
| MolWt: | 597.68 | Num_heavy_atoms: | 44 |
| TPSA: | 175.13 | NumAromaticRings: | 5 |
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 |
AD11457
Formula: C24H23N8
Smiles:
C1=Nc2c(nc(NCCc3c[nH]cn3)nc2NCC(c2ccccc2)c2ccccc2)[N]1| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 423.5 | Num_heavy_atoms: | 32 |
| TPSA: | 104.98 | NumAromaticRings: | 4 |
