Glycoside
GD147321
Name:
NoneFormula:
C48H54O12N4Smiles:
CNC1CC(C2C=CCC(C)C2)C2CC3c4ccccc4C=C(c4cc(O)ccc4-c4cc(=O)c5c(O)c(O)c(OC6OC(C(=O)O)C(O)C(O)(CNC(=N)N)C6O)cc5o4)C3C1C2Aglycone:
CNC(=N)N.CNC1CC(C2C=CCC(C)C2)C2CC3c4ccccc4C=C(c4cc(O)ccc4-c4cc(=O)c5c(O)c(O)c(O)cc5o4)C3C1C2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.44 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 878.98 | Num_heavy_atoms: | 64 |
| 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 |
AD59006
Formula: C40H41O6N
Smiles:
CNC1CC(C2C=CCC(C)C2)C2CC3c4ccccc4C=C(c4cc(O)ccc4-c4cc(=O)c5c(O)c(O)c(O)cc5o4)C3C1C2| HBA: | 7 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 7.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 631.77 | Num_heavy_atoms: | 47 |
| TPSA: | 123.16 | NumAromaticRings: | 4 |
