Glycoside
GD121209
Name:
NeurosporasideFormula:
C66H125O25NSmiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OC2C(OCC3OC(OCC4OC(O)C(O)C(O)C4O)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 0.98 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 51 |
| MolWt: | 1332.71 | Num_heavy_atoms: | 92 |
| TPSA: | 430.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD45255
Formula: C42H85O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.98 |
| AlogP: | 11.69 | Num_rotatable_bonds: | 39 |
| MolWt: | 684.14 | Num_heavy_atoms: | 48 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
