Glycoside
GD124174
Name:
Meehanine CFormula:
C35H55O14N3Smiles:
CCC(C)C(=O)N1CCCN=C(O)CC(c2ccc(OC3OC(C)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)cc2)NCCC(OC(C)=O)C1Aglycone:
CCC(C)C(=O)N1CCCN=C(O)CC(c2ccc(O)cc2)NCCC(OC(C)=O)C1Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.74 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 741.83 | Num_heavy_atoms: | 52 |
| TPSA: | 249.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD45211
Formula: C23H35O5N3
Smiles:
CCC(C)C(=O)N1CCCN=C(O)CC(c2ccc(O)cc2)NCCC(OC(C)=O)C1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.61 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 433.55 | Num_heavy_atoms: | 31 |
| TPSA: | 111.46 | NumAromaticRings: | 1 |
