Glycoside
GD127239
Name:
NoneFormula:
C38H44O18N4Smiles:
CCc1cc(Cc2c(OC3OC(C(=O)OC4(CCCNC(=N)N)OC(C(=O)O)C(O)C(O)C4O)C(O)C(O)C3O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)c[nH]1Aglycone:
CCCNC(=N)N.CCc1cc(Cc2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)c[nH]1Sugarmoiety:
O=C(OC1(O)OC(C(=O)O)C(O)C(O)C1O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 15 | FractionCSP3: | 0.42 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 13 |
| MolWt: | 844.78 | Num_heavy_atoms: | 60 |
| TPSA: | 381.26 | NumAromaticRings: | 4 |
Unique Aglycone
AD09414
Formula: C4H11N3
Smiles:
CCCNC(=N)N| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 61.9 | NumAromaticRings: | 0 |
AD51518
Formula: C22H19O6N
Smiles:
CCc1cc(Cc2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)c[nH]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.14 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 393.4 | Num_heavy_atoms: | 29 |
| TPSA: | 126.92 | NumAromaticRings: | 4 |
