Glycoside
GD129573
Name:
3,4,5-trihydroxy-6-[(2-hydroxy-2-methyl-6-{4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}heptan-4-yl)oxy]oxane-2-carboxylic acidFormula:
C33H56O11Smiles:
CC(CC(CC(C)(C)O)OC1OC(C(=O)O)C(O)C(O)C1O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12CAglycone:
CC(CC(O)CC(C)(C)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 628.8 | Num_heavy_atoms: | 44 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD52489
Formula: C27H48O5
Smiles:
CC(CC(O)CC(C)(C)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.68 | Num_heavy_atoms: | 32 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
