Glycoside
GD114239
Name:
6-[(1-{4-[(carboxymethyl)carbamoyl]butan-2-yl}-4-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C32H51O11NSmiles:
CC(CCC(O)=NCC(=O)O)C1CCC2C3C(O)CC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(CCC(O)=NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 9 |
| MolWt: | 625.76 | Num_heavy_atoms: | 44 |
| TPSA: | 206.57 | NumAromaticRings: | 0 |
Unique Aglycone
AD44924
Formula: C26H43O5N
Smiles:
CC(CCC(O)=NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 4.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 449.63 | Num_heavy_atoms: | 32 |
| TPSA: | 110.35 | NumAromaticRings: | 0 |
