Glycoside
GD127533
Name:
NoneFormula:
C29H33O12N3Smiles:
C[NH2+]CCOc1ccc(C2[CH-]C(=O)c3c(cc(OC4OC(C(=O)O)C(O)(CC5=NC=NC5)C(O)C4O)c(OC)c3O)O2)cc1Aglycone:
CC1=NC=NC1.C[NH2+]CCOc1ccc(C2[CH-]C(=O)c3c(cc(O)c(OC)c3O)O2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 11 |
| MolWt: | 615.59 | Num_heavy_atoms: | 44 |
| TPSA: | 222.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD44952
Formula: C4H6N2
Smiles:
CC1=NC=NC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 0 |
| MolWt: | 82.11 | Num_heavy_atoms: | 6 |
| TPSA: | 24.72 | NumAromaticRings: | 0 |
AD51647
Formula: C19H21O6N
Smiles:
C[NH2+]CCOc1ccc(C2[CH-]C(=O)c3c(cc(O)c(OC)c3O)O2)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 359.38 | Num_heavy_atoms: | 26 |
| TPSA: | 101.83 | NumAromaticRings: | 2 |
