Glycoside
GD115724
Name:
Brasilinolide BFormula:
C59H104O23Smiles:
CCCCC(C(=O)OC)C(=O)OC1CCCC(O)C2OC2C(C)C(C(C)C(O)C(C)C(O)C(C)C(C)OC2CC(OC)C(OC)C(C)O2)OC(=O)C=CCC(O)CC(O)CC(O)CCC(C)C(O)CC2(O)OC(CC(O)C1)CC(O)C2OAglycone:
CCCCC(C(=O)OC)C(=O)OC1CCCC(O)C2OC2C(C)C(C(C)C(O)C(C)C(O)C(C)C(C)O)OC(=O)C=CCC(O)CC(O)CC(O)CCC(C)C(O)CC2(O)OC(CC(O)C1)CC(O)C2OSugarmoiety:
COC1CC(O)OC(C)C1OCOther Identifiers
Properties
| HBA: | 23 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.92 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 16 |
| MolWt: | 1181.46 | Num_heavy_atoms: | 82 |
| TPSA: | 360.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD45835
Formula: C51H90O20
Smiles:
CCCCC(C(=O)OC)C(=O)OC1CCCC(O)C2OC2C(C)C(C(C)C(O)C(C)C(O)C(C)C(C)O)OC(=O)C=CCC(O)CC(O)CC(O)CCC(C)C(O)CC2(O)OC(CC(O)C1)CC(O)C2O| HBA: | 20 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.9 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 12 |
| MolWt: | 1023.26 | Num_heavy_atoms: | 71 |
| TPSA: | 343.42 | NumAromaticRings: | 0 |
