Glycoside
GD130038
Name:
NoneFormula:
C45H74O15Smiles:
COC1COC(OC2CC3CC(=O)C(OC)C(C)CC(O)C(C)(C)C(C=CC=CC=CC(C)C)OC(=O)CC(O3)C2C)C(OC)C1OC1OC(C)C(OC)C(OC)C1OCAglycone:
COC1C(=O)CC2CC(O)C(C)C(CC(=O)OC(C=CC=CC=CC(C)C)C(C)(C)C(O)CC1C)O2Sugarmoiety:
COC1COC(O)C(OC)C1OC1OC(C)C(OC)C(OC)C1OCOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.82 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 14 |
| MolWt: | 855.07 | Num_heavy_atoms: | 60 |
| TPSA: | 165.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD48186
Formula: C29H46O7
Smiles:
COC1C(=O)CC2CC(O)C(C)C(CC(=O)OC(C=CC=CC=CC(C)C)C(C)(C)C(O)CC1C)O2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.72 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 506.68 | Num_heavy_atoms: | 36 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
