Glycoside
GD127272
Name:
NoneFormula:
C35H43O11N5Smiles:
CNC(=N)NC1CCCc2cc3c(c(O)c21)C(=O)c1c(OC2OC(CO)C(O)(CCC4=CCNC(N)=C4)C(O)C2O)cc(OC)c(CO)c1C3=OAglycone:
CCC1=CCNC(N)=C1.CNC(=N)NC1CCCc2cc3c(c(O)c21)C(=O)c1c(O)cc(OC)c(CO)c1C3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.46 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 709.75 | Num_heavy_atoms: | 51 |
| TPSA: | 269.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD44859
Formula: C7H12N2
Smiles:
CCC1=CCNC(N)=C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.19 | Num_heavy_atoms: | 9 |
| TPSA: | 38.05 | NumAromaticRings: | 0 |
AD45854
Formula: C22H23O6N3
Smiles:
CNC(=N)NC1CCCc2cc3c(c(O)c21)C(=O)c1c(O)cc(OC)c(CO)c1C3=O| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 425.44 | Num_heavy_atoms: | 31 |
| TPSA: | 151.97 | NumAromaticRings: | 2 |
