Glycoside
GD006780
Name:
NoneFormula:
C25H29O8N3Smiles:
Cc1nnc([C@@H]2O[C@H](O[C@@H]3C=C[C@@H]4[C@@H]5Cc6ccc(O)c7c6[C@@]4(CCN5C)[C@H]3O7)[C@H](O)[C@H](O)[C@H]2O)o1Aglycone:
CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5.Cc1nnco1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 499.52 | Num_heavy_atoms: | 36 |
| TPSA: | 150.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD01097
Formula: C17H19O3N
Smiles:
CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 285.34 | Num_heavy_atoms: | 21 |
| TPSA: | 52.93 | NumAromaticRings: | 1 |
AD05575
Formula: C3H4ON2
Smiles:
Cc1nnco1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 0 |
| MolWt: | 84.08 | Num_heavy_atoms: | 6 |
| TPSA: | 38.92 | NumAromaticRings: | 1 |
