Glycoside
GD140494
Name:
Aldgamycin GFormula:
C37H56O15Smiles:
COC1C(OCC2C(C)OC(=O)C=CC(C)C(OC3OC(C)CC4(OC(=O)OC4C)C3O)C(C)CC(C)C(=O)C=CC3OC32)OC(C)C(O)C1OCAglycone:
CC1CC2(OC(=O)OC2C)C(O)C(OC2C(C)C=CC(=O)OC(C)C(CO)C3OC3C=CC(=O)C(C)CC2C)O1Sugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 740.84 | Num_heavy_atoms: | 52 |
| TPSA: | 187.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD56649
Formula: C29H42O11
Smiles:
CC1CC2(OC(=O)OC2C)C(O)C(OC2C(C)C=CC(=O)OC(C)C(CO)C3OC3C=CC(=O)C(C)CC2C)O1| HBA: | 11 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 566.64 | Num_heavy_atoms: | 40 |
| TPSA: | 150.35 | NumAromaticRings: | 0 |
