Glycoside
GD134607
Name:
Catenulisporolide AFormula:
C58H100O20Smiles:
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)CC3(O)OC(C2)CC(O)C3C)OC(C)C1OAglycone:
CC(C)CC(O)C(C)C(O)C(C)C(O)CC1OC(=O)CCCCCC(O)CC2(O)OC(CC(O)CC(O)C=CC=CC=CC1C)CC(O)C2CSugarmoiety:
CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.88 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 15 |
| MolWt: | 1117.42 | Num_heavy_atoms: | 78 |
| TPSA: | 302.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD52256
Formula: C39H68O11
Smiles:
CC(C)CC(O)C(C)C(O)C(C)C(O)CC1OC(=O)CCCCCC(O)CC2(O)OC(CC(O)CC(O)C=CC=CC=CC1C)CC(O)C2C| HBA: | 11 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 712.96 | Num_heavy_atoms: | 50 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
