Glycoside
GD143723
Name:
Glucose 6-Monomycolate (C85)Formula:
C91H178O9Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC1OC(O)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C(O)CCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.99 |
| AlogP: | 27.11 | Num_rotatable_bonds: | 81 |
| MolWt: | 1416.42 | Num_heavy_atoms: | 100 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD57788
Formula: C86H170O4
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C(O)CCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.99 |
| AlogP: | 29.94 | Num_rotatable_bonds: | 79 |
| MolWt: | 1268.3 | Num_heavy_atoms: | 90 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
