Glycoside
GD155091
Name:
Crepidiaside DFormula:
C29H36O11Smiles:
CC1=C2CC=C(COC3OC(CO)C(O)C(O)C3OC(=O)Cc3ccc(O)cc3)C2C2OC(=O)C(C)C2C(O)C1Aglycone:
CC1=C2CC=C(CO)C2C2OC(=O)C(C)C2C(O)C1.O=C(O)Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 560.6 | Num_heavy_atoms: | 40 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD05358
Formula: C8H8O3
Smiles:
O=C(O)Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD49249
Formula: C15H20O4
Smiles:
CC1=C2CC=C(CO)C2C2OC(=O)C(C)C2C(O)C1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
