Glycoside
GD136499
Name:
halichoblelide dFormula:
C49H80O15Smiles:
CCC1C(C)OC(O)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(O)CC(OC4CC(O)C(O)C(C)O4)C(CC)C(C)O3)OC(=O)C=CC=CC2C)CC1OCAglycone:
CCC1C(O)CC(O)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(O)CC(OC)C(CC)C(C)O3)OC(=O)C=CC=CC2C)OC1CSugarmoiety:
CC1OOCC(O)C1O.COOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 13 |
| MolWt: | 909.16 | Num_heavy_atoms: | 64 |
| TPSA: | 220.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD55180
Formula: C43H70O12
Smiles:
CCC1C(O)CC(O)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(O)CC(OC)C(CC)C(C)O3)OC(=O)C=CC=CC2C)OC1C| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 5.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 779.02 | Num_heavy_atoms: | 55 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
