Glycoside
GD127805
Name:
NoneFormula:
C47H64O21Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4OC4CC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2CC2OC(C)C(O)CC2OC2OC(C)C(O)C(O)C2O)cc1Aglycone:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2CC2OC(C)C(O)CC2O)cc1.OCC1CC(O)C(O)C(O)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.64 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 14 |
| MolWt: | 965.01 | Num_heavy_atoms: | 68 |
| TPSA: | 337.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD07534
Formula: C7H14O5
Smiles:
OCC1CC(O)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.18 | Num_heavy_atoms: | 12 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
AD51764
Formula: C28H32O8
Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2CC2OC(C)C(O)CC2O)cc1| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.56 | Num_heavy_atoms: | 36 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
