Glycoside
GD127359
Name:
Sublanceoside A1Formula:
C26H36O7Smiles:
Cc1occc1C1CCC2C(CC=C3CC(OC4CC(O)C(O)C(C)O4)C(O)CC32C)C1=OAglycone:
Cc1occc1C1CCC2C(CC=C3CC(O)C(O)CC32C)C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 460.57 | Num_heavy_atoms: | 33 |
| TPSA: | 109.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD46211
Formula: C20H26O4
Smiles:
Cc1occc1C1CCC2C(CC=C3CC(O)C(O)CC32C)C1=O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.65 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 330.42 | Num_heavy_atoms: | 24 |
| TPSA: | 70.67 | NumAromaticRings: | 1 |
