Glycoside
GD148547
Name:
Aldgamycin PFormula:
C37H58O16Smiles:
COC1C(OCC2C(C)OC(=O)C=CC(C)C(OC3OC(C)CC4(OC(=O)OC4C)C3O)C(C)CC(C)(O)C(=O)CCC3OC32)OC(C)C(O)C1OCAglycone:
CC1CC2(OC(=O)OC2C)C(O)C(OC2C(C)C=CC(=O)OC(C)C(CO)C3OC3CCC(=O)C(C)(O)CC2C)O1Sugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 758.86 | Num_heavy_atoms: | 53 |
| TPSA: | 207.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD59442
Formula: C29H44O12
Smiles:
CC1CC2(OC(=O)OC2C)C(O)C(OC2C(C)C=CC(=O)OC(C)C(CO)C3OC3CCC(=O)C(C)(O)CC2C)O1| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 584.66 | Num_heavy_atoms: | 41 |
| TPSA: | 170.58 | NumAromaticRings: | 0 |
