Glycoside
GD146448
Name:
Halichoblelide BFormula:
C51H84O15Smiles:
CCC1C(C)OC(OC)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(OC)CC(OC4CC(O)C(O)C(C)O4)C(CC)C(C)O3)OC(=O)C=CC=CC2C)CC1OCAglycone:
CCC1C(O)CC(OC)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(OC)CC(OC)C(CC)C(C)O3)OC(=O)C=CC=CC2C)OC1CSugarmoiety:
CC1OOCC(O)C1O.COOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 6.2 | Num_rotatable_bonds: | 15 |
| MolWt: | 937.22 | Num_heavy_atoms: | 66 |
| TPSA: | 198.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD58726
Formula: C45H74O12
Smiles:
CCC1C(O)CC(OC)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(OC)CC(OC)C(CC)C(C)O3)OC(=O)C=CC=CC2C)OC1C| HBA: | 12 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 6.32 | Num_rotatable_bonds: | 13 |
| MolWt: | 807.08 | Num_heavy_atoms: | 57 |
| TPSA: | 159.44 | NumAromaticRings: | 0 |
