Glycoside
GD119986
Name:
NoneFormula:
C50H54O12N4Smiles:
CNC1C2C=CC3C(CC4c5ccccc5C=C(c5cc(O)ccc5-c5cc(=O)c6c(O)c(O)c(OC7OC(C(=O)O)C(O)C(O)(CNC(=N)N)C7O)cc6o5)C4C31)C2C1C=CCC(C)C1Aglycone:
CNC(=N)N.CNC1C2C=CC3C(CC4c5ccccc5C=C(c5cc(O)ccc5-c5cc(=O)c6c(O)c(O)c(O)cc6o5)C4C31)C2C1C=CCC(C)C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 11 |
| HBD: | 12 | FractionCSP3: | 0.42 |
| AlogP: | 4.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 903.0 | Num_heavy_atoms: | 66 |
| TPSA: | 281.28 | NumAromaticRings: | 4 |
Unique Aglycone
AD01954
Formula: C2H7N3
Smiles:
CNC(=N)N| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.1 | Num_heavy_atoms: | 5 |
| TPSA: | 61.9 | NumAromaticRings: | 0 |
AD48152
Formula: C42H41O6N
Smiles:
CNC1C2C=CC3C(CC4c5ccccc5C=C(c5cc(O)ccc5-c5cc(=O)c6c(O)c(O)c(O)cc6o5)C4C31)C2C1C=CCC(C)C1| HBA: | 7 | RingCount: | 10 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 7.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 655.79 | Num_heavy_atoms: | 49 |
| TPSA: | 123.16 | NumAromaticRings: | 4 |
