Glycoside
GD157612
Name:
Meehanine LFormula:
C37H51O14N3Smiles:
CC(=O)OC1CCNC(c2ccc(OC3OC(C)C(O)C(O)C3OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O)cc2)CC(O)=NCCCNC1Aglycone:
CC(=O)OC1CCNC(c2ccc(O)cc2)CC(O)=NCCCNC1.COC(=O)c1ccccc1Sugarmoiety:
CC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 761.82 | Num_heavy_atoms: | 54 |
| TPSA: | 247.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
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 |
