Glycoside
GD143390
Name:
NoneFormula:
C43H49O12N3Smiles:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C(CC3(c4ccccc4)CCCCC3)C2C(=O)O)ccc1OAglycone:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC3(c4ccccc4)CCCCC3)C2C(=O)O)ccc1OSugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 12 |
| MolWt: | 799.87 | Num_heavy_atoms: | 58 |
| TPSA: | 242.4 | NumAromaticRings: | 3 |
Unique Aglycone
AD51789
Formula: C37H39O6N3
Smiles:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC3(c4ccccc4)CCCCC3)C2C(=O)O)ccc1O| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 6.5 | Num_rotatable_bonds: | 9 |
| MolWt: | 621.73 | Num_heavy_atoms: | 46 |
| TPSA: | 143.02 | NumAromaticRings: | 3 |
