Glycoside
GD152041
Name:
35-36Formula:
C96H160O34Smiles:
COC1CC(C)OC(CCC(C)C(O)C(C)C2CC(O)CC(O)C(C)C(OC)CC3CC=CC(CC(OC4OCC(OC)C(OC)C4OC(=O)C(O)CO)CC=C(C)C=CC(=O)OC(C(C)C(O)C(C)CCC4CC(OC)CC(C)O4)CC(O)CC(O)C(C)C(OC)CC4CC=CC(CC(OC5OCC(OC)C(OC)C5OC(=O)C(O)CO)CC=C(C)C=CC(=O)O2)O4)O3)C1Aglycone:
COC1CC(C)OC(CCC(C)C(O)C(C)C2CC(O)CC(O)C(C)C(OC)CC3CC=CC(CC(O)CC=C(C)C=CC(=O)OC(C(C)C(O)C(C)CCC4CC(OC)CC(C)O4)CC(O)CC(O)C(C)C(OC)CC4CC=CC(CC(O)CC=C(C)C=CC(=O)O2)O4)O3)C1.O=C(O)C(O)CO.O=C(O)C(O)COSugarmoiety:
COC1COC(O)C(O)C1OC.COC1COC(O)C(O)C1OCOther Identifiers
Properties
| HBA: | 34 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.83 |
| AlogP: | 6.97 | Num_rotatable_bonds: | 30 |
| MolWt: | 1858.3 | Num_heavy_atoms: | 130 |
| TPSA: | 455.18 | NumAromaticRings: | 0 |
Unique Aglycone
AD23734
Formula: C3H6O4
Smiles:
O=C(O)C(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 106.08 | Num_heavy_atoms: | 7 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD51189
Formula: C76H128O20
Smiles:
COC1CC(C)OC(CCC(C)C(O)C(C)C2CC(O)CC(O)C(C)C(OC)CC3CC=CC(CC(O)CC=C(C)C=CC(=O)OC(C(C)C(O)C(C)CCC4CC(OC)CC(C)O4)CC(O)CC(O)C(C)C(OC)CC4CC=CC(CC(O)CC=C(C)C=CC(=O)O2)O4)O3)C1| HBA: | 20 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | 9.62 | Num_rotatable_bonds: | 16 |
| MolWt: | 1361.84 | Num_heavy_atoms: | 96 |
| TPSA: | 288.28 | NumAromaticRings: | 0 |
