Glycoside
GD148405
Name:
Halichoblelide CFormula:
C50H82O15Smiles:
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(C)C(C)O3)OC(=O)C=CC=CC2C)CC1OCAglycone:
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(O)C(C)C(C)O3)OC(=O)C=CC=CC2C)CC1OCSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 5.81 | Num_rotatable_bonds: | 14 |
| MolWt: | 923.19 | Num_heavy_atoms: | 65 |
| TPSA: | 198.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD59387
Formula: C44H72O12
Smiles:
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(O)C(C)C(C)O3)OC(=O)C=CC=CC2C)CC1OC| HBA: | 12 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 5.93 | Num_rotatable_bonds: | 12 |
| MolWt: | 793.05 | Num_heavy_atoms: | 56 |
| TPSA: | 159.44 | NumAromaticRings: | 0 |
