Glycoside
GD146617
Name:
NoneFormula:
C38H41O12N3Smiles:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C(CCc3ccccc3)C2C(=O)O)ccc1OAglycone:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CCc3ccccc3)C2C(=O)O)ccc1OSugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.37 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 12 |
| MolWt: | 731.76 | Num_heavy_atoms: | 53 |
| TPSA: | 242.4 | NumAromaticRings: | 3 |
Unique Aglycone
AD58739
Formula: C32H31O6N3
Smiles:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CCc3ccccc3)C2C(=O)O)ccc1O| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 9 |
| MolWt: | 553.62 | Num_heavy_atoms: | 41 |
| TPSA: | 143.02 | NumAromaticRings: | 3 |
