Glycoside
GD030648
Name:
NoneFormula:
C33H34O7N4Smiles:
COCCOCn1cnc2c(ncn2[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O)[C@H]2O)c1=OAglycone:
COC(c1ccccc1)(c1ccccc1)c1ccccc1.COCCOCn1cnc2c(c1=O)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 12 |
| MolWt: | 598.66 | Num_heavy_atoms: | 44 |
| TPSA: | 130.09 | NumAromaticRings: | 5 |
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 |
AD15340
Formula: C9H11O3N4
Smiles:
COCCOCn1cnc2c(c1=O)N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 223.21 | Num_heavy_atoms: | 16 |
| TPSA: | 79.81 | NumAromaticRings: | 1 |
