Glycoside
GD129009
Name:
Catenulisporolide CFormula:
C57H98O20Smiles:
CC(C)CC(OC1CC(OC2CC(O)C(O)C(C)O2)C(O)C(C)O1)C(C)C(O)C(C)C(O)CC1OC(=O)CCCCCC(O)CC2(O)OC(CC(OC3CC(O)C(O)C(C)O3)CC(O)C=CC=CC=CC1C)CC(O)C2CAglycone:
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(O)CC(O)C1O.CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.88 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 14 |
| MolWt: | 1103.39 | Num_heavy_atoms: | 77 |
| TPSA: | 313.44 | 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 |
