Glycoside
GD148958
Name:
NoneFormula:
C46H44O13N4Smiles:
CNC1C2C=CC3C4CC5(C=CC24)c2ccccc2C=C(c2cc(O)ccc2-c2cc(=O)c4c(O)c(O)c(OC6OC(C(=O)O)C(O)C(O)(CNC(=N)N)C6O)cc4o2)C5C31C=OAglycone:
CNC(=N)N.CNC1C2C=CC3C4CC5(C=CC24)c2ccccc2C=C(c2cc(O)ccc2-c2cc(=O)c4c(O)c(O)c(O)cc4o2)C5C31C=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 11 |
| HBD: | 12 | FractionCSP3: | 0.35 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 860.87 | Num_heavy_atoms: | 63 |
| TPSA: | 298.35 | 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 |
AD59577
Formula: C38H31O7N
Smiles:
CNC1C2C=CC3C4CC5(C=CC24)c2ccccc2C=C(c2cc(O)ccc2-c2cc(=O)c4c(O)c(O)c(O)cc4o2)C5C31C=O| HBA: | 8 | RingCount: | 10 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 5.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 613.67 | Num_heavy_atoms: | 46 |
| TPSA: | 140.23 | NumAromaticRings: | 4 |
