Glycoside
GD012135
Name:
NoneFormula:
C32H34O5N4Smiles:
Nc1c(C(=O)NCC2CC2)ncn1[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](O)[C@H]1OAglycone:
COC(c1ccccc1)(c1ccccc1)c1ccccc1.NC1=C(C(=O)NCC2CC2)N=C[N]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 554.65 | Num_heavy_atoms: | 41 |
| TPSA: | 131.86 | NumAromaticRings: | 4 |
Unique Aglycone
AD01054
Formula: C20H18O
Smiles:
COC(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.36 | Num_heavy_atoms: | 21 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
AD09168
Formula: C8H11ON4
Smiles:
NC1=C(C(=O)NCC2CC2)N=C[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.2 | Num_heavy_atoms: | 13 |
| TPSA: | 81.58 | NumAromaticRings: | 0 |
