Glycoside
GD135729
Name:
NoneFormula:
C33H39O10N5Smiles:
CNC(=N)NC1CCC(CC2=CNC(N)C=C2)c2cc3c(c(O)c21)C(=O)c1c(OC2OC(CO)C(O)C(O)C2O)cc(OC)cc1C3=OAglycone:
CNC(=N)NC1CCC(CC2=CNC(N)C=C2)c2cc3c(c(O)c21)C(=O)c1c(O)cc(OC)cc1C3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.42 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 665.7 | Num_heavy_atoms: | 48 |
| TPSA: | 248.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD54880
Formula: C27H29O5N5
Smiles:
CNC(=N)NC1CCC(CC2=CNC(N)C=C2)c2cc3c(c(O)c21)C(=O)c1c(O)cc(OC)cc1C3=O| HBA: | 10 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.3 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 503.56 | Num_heavy_atoms: | 37 |
| TPSA: | 169.79 | NumAromaticRings: | 2 |
