Glycoside
GD145241
Name:
3,4,5-trihydroxy-6-[(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:
C33H56O10Smiles:
CC(C)CC(CC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C)OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
CC(C)CC(O)CC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 612.8 | Num_heavy_atoms: | 43 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD58315
Formula: C27H48O4
Smiles:
CC(C)CC(O)CC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.68 | Num_heavy_atoms: | 31 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
