Glycoside
GD020468
Name:
NoneFormula:
C29H30O7N2Smiles:
CC(=O)OC1COC(N2c3ccccc3[C@@H]3CCc4c([nH]c5ccccc45)[C@H]32)C(OC(C)=O)C1OC(C)=OAglycone:
c1ccc2c(c1)NC1c3[nH]c4ccccc4c3CCC21Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 518.57 | Num_heavy_atoms: | 38 |
| TPSA: | 107.16 | NumAromaticRings: | 3 |
Unique Aglycone
AD14128
Formula: C18H16N2
Smiles:
c1ccc2c(c1)NC1c3[nH]c4ccccc4c3CCC21| HBA: | 2 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 4.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.34 | Num_heavy_atoms: | 20 |
| TPSA: | 27.82 | NumAromaticRings: | 3 |
