Glycoside
GD155229
Name:
Catenulisporolide DFormula:
C58H98O19Smiles:
COC1CC(OC2CC(O)C=CC=CC=CC(C)C(CC(O)C(C)C(O)C(C)C(CC(C)C)OC3CC(OC4CC(O)C(O)C(C)O4)C(O)C(C)O3)OC(=O)CCCCCC(O)CC(=O)C(C)=CCC(O)C2)OC(C)C1OAglycone:
CC1=CCC(O)CC(O)CC(O)C=CC=CC=CC(C)C(CC(O)C(C)C(O)C(C)C(O)CC(C)C)OC(=O)CCCCCC(O)CC1=OSugarmoiety:
CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.83 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 15 |
| MolWt: | 1099.4 | Num_heavy_atoms: | 77 |
| TPSA: | 290.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD61585
Formula: C39H66O10
Smiles:
CC1=CCC(O)CC(O)CC(O)C=CC=CC=CC(C)C(CC(O)C(C)C(O)C(C)C(O)CC(C)C)OC(=O)CCCCCC(O)CC1=O| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.74 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 694.95 | Num_heavy_atoms: | 49 |
| TPSA: | 184.98 | NumAromaticRings: | 0 |
