Glycoside
GD139968
Name:
Deltamycin XFormula:
C37H59O15NSmiles:
COC1C(OC(C)=O)CC(=O)OC(C)CC2OC2C=CC(=O)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1OAglycone:
COC1C(OC(C)=O)CC(=O)OC(C)CC2OC2C=CC(=O)C(C)CC(CC=O)C1OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 9 |
| MolWt: | 757.87 | Num_heavy_atoms: | 53 |
| TPSA: | 209.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD00768
Formula: C22H32O9
Smiles:
COC1C(OC(C)=O)CC(=O)OC(C)CC2OC2C=CC(=O)C(C)CC(CC=O)C1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 440.49 | Num_heavy_atoms: | 31 |
| TPSA: | 128.73 | NumAromaticRings: | 0 |
