Glycoside
GD116616
Name:
Gulmirecin AFormula:
C27H42O11Smiles:
CC=C(C)C1CC=C(C)C(OC2OC(CO)C(O)C2O)C(OC(=O)CC(C)C)C(=O)CC(O)C(C)C(=O)O1Aglycone:
CC=C(C)C1CC=C(C)C(O)C(OC(=O)CC(C)C)C(=O)CC(O)C(C)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 542.62 | Num_heavy_atoms: | 38 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD46345
Formula: C22H34O7
Smiles:
CC=C(C)C1CC=C(C)C(O)C(OC(=O)CC(C)C)C(=O)CC(O)C(C)C(=O)O1| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 410.51 | Num_heavy_atoms: | 29 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
