Glycoside
GD114631
Name:
NoneFormula:
C33H41O10N5Smiles:
CCc1c(OC)cc(OC2OC(CO)C(O)C(O)C2O)c2c1C(=O)c1cc(CCC3=CNC(N)C=C3)c(CNC(=N)NC)c(O)c1C2=OAglycone:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCC3=CNC(N)C=C3)c(CNC(=N)NC)c(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.42 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 10 |
| MolWt: | 667.72 | Num_heavy_atoms: | 48 |
| TPSA: | 248.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD45179
Formula: C27H31O5N5
Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCC3=CNC(N)C=C3)c(CNC(=N)NC)c(O)c1C2=O| HBA: | 10 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.3 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 505.58 | Num_heavy_atoms: | 37 |
| TPSA: | 169.79 | NumAromaticRings: | 2 |
