Glycoside
GD139521
Name:
Meehanine NFormula:
C35H55O14N3Smiles:
CCC(C)C(=O)OCC1OC(OC2C(Oc3ccc(C4CC(O)=NCCCNCC(OC(C)=O)CCN4)cc3)OC(C)C(O)C2O)C(O)C(O)C1OAglycone:
CC(=O)OC1CCNC(c2ccc(O)cc2)CC(O)=NCCCNC1.CCC(C)C(=O)OCSugarmoiety:
CC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.74 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 10 |
| MolWt: | 741.83 | Num_heavy_atoms: | 52 |
| TPSA: | 247.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD17547
Formula: C6H12O2
Smiles:
CCC(C)C(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD56258
Formula: C18H27O4N3
Smiles:
CC(=O)OC1CCNC(c2ccc(O)cc2)CC(O)=NCCCNC1| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 349.43 | Num_heavy_atoms: | 25 |
| TPSA: | 103.18 | NumAromaticRings: | 1 |
