Glycoside
GD120443
Name:
Maridomycin ViFormula:
C39H63O16NSmiles:
COC1C(OC(C)=O)CC(=O)OC(C)CC2OC2C=CC(O)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(OC(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:
CC(=O)OC1C(C)OC(OC2C(C)OC(O)C(O)C2N(C)C)CC1(C)OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 10 |
| MolWt: | 801.92 | Num_heavy_atoms: | 56 |
| TPSA: | 218.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD48387
Formula: C22H34O9
Smiles:
COC1C(OC(C)=O)CC(=O)OC(C)CC2OC2C=CC(O)C(C)CC(CC=O)C1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 442.51 | Num_heavy_atoms: | 31 |
| TPSA: | 131.89 | NumAromaticRings: | 0 |
