Glycoside
GD114531
Name:
NoneFormula:
C35H33O12N5Smiles:
N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCCO)c3OC3OC(CO)C(O)C(O)C3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1Aglycone:
N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCCO)c3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.31 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 715.67 | Num_heavy_atoms: | 52 |
| TPSA: | 267.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD45116
Formula: C29H23O7N5
Smiles:
N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCCO)c3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.17 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 553.53 | Num_heavy_atoms: | 41 |
| TPSA: | 188.46 | NumAromaticRings: | 3 |
