Glycoside
GD115212
Name:
NoneFormula:
C41H42O12N5Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3OC3OC(C5(O)CCCCC5)C(O)C(O)C3O)C(=O)c3ccccc3C4=O)C2=N1Aglycone:
OC1CCCCC1.[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3ccccc3C4=O)C2=N1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 11 |
| MolWt: | 796.81 | Num_heavy_atoms: | 58 |
| TPSA: | 266.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD06056
Formula: C6H12O
Smiles:
OC1CCCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 100.16 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD45533
Formula: C30H24O7N5
Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3ccccc3C4=O)C2=N1| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.17 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 566.55 | Num_heavy_atoms: | 42 |
| TPSA: | 187.04 | NumAromaticRings: | 3 |
