Glycoside
GD122048
Name:
P 457Formula:
C52H76O15Smiles:
CC(C=C=C1C(C)(C)CC(O)CC1(C)O)=CC=CC(C)=CC=CC=C(C=O)C=CC=C(C)CCC12OC1(C)CC(OC1OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C1O)CC2(C)CAglycone:
CC(C=C=C1C(C)(C)CC(O)CC1(C)O)=CC=CC(C)=CC=CC=C(C=O)C=CC=C(C)CCC12OC1(C)CC(O)CC2(C)CSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.65 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 17 |
| MolWt: | 941.17 | Num_heavy_atoms: | 67 |
| TPSA: | 248.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD49159
Formula: C40H56O5
Smiles:
CC(C=C=C1C(C)(C)CC(O)CC1(C)O)=CC=CC(C)=CC=CC=C(C=O)C=CC=C(C)CCC12OC1(C)CC(O)CC2(C)C| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 8.12 | Num_rotatable_bonds: | 11 |
| MolWt: | 616.88 | Num_heavy_atoms: | 45 |
| TPSA: | 90.29 | NumAromaticRings: | 0 |
