Glycoside
GD134420
Name:
Meehanine MFormula:
C35H49O13N3Smiles:
CC1OC(Oc2ccc(C3CC(O)=NCCCNCC(O)CCN3)cc2)C(OC2OC(COC(=O)c3ccccc3)C(O)C(O)C2O)C(O)C1OAglycone:
COC(=O)c1ccccc1.OC1=NCCCNCC(O)CCNC(c2ccc(O)cc2)C1Sugarmoiety:
CC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.6 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 719.79 | Num_heavy_atoms: | 51 |
| TPSA: | 241.25 | 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 |
AD54378
Formula: C16H25O3N3
Smiles:
OC1=NCCCNCC(O)CCNC(c2ccc(O)cc2)C1| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 307.39 | Num_heavy_atoms: | 22 |
| TPSA: | 97.11 | NumAromaticRings: | 1 |
