Glycoside
GD149810
Name:
NoneFormula:
C40H44O12N4Smiles:
NC1CCCC1(CC1c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N(C(=O)C=Cc2ccc(O)c(CC3=NCN=C3)c2)C1C(=O)O)c1ccccc1Aglycone:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(CC3=NCN=C3)c2)C1C(=O)O)c1ccccc1Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.4 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 11 |
| MolWt: | 772.81 | Num_heavy_atoms: | 56 |
| TPSA: | 268.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD59887
Formula: C34H34O6N4
Smiles:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(CC3=NCN=C3)c2)C1C(=O)O)c1ccccc1| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 594.67 | Num_heavy_atoms: | 44 |
| TPSA: | 169.04 | NumAromaticRings: | 3 |
