Glycoside
GD128446
Name:
7-[3-hydroxy-5-(8-{3-hydroxy-2-[2,3,4-trihydroxy-5,5-dimethyl-6-(penta-1,3-dien-1-yl)oxan-2-yl]propanamido}-3-methoxy-4-methylocta-4,6-dien-2-yl)oxolan-2-yl]hepta-2,4,6-trienoic acidFormula:
C36H53O11NSmiles:
CC=CC=CC1OC(O)(C(CO)C(O)=NCC=CC=C(C)C(OC)C(C)C2CC(O)C(C=CC=CC=CC(=O)O)O2)C(O)C(O)C1(C)CAglycone:
C=CC=CC.COC(C(C)=CC=CCN=C(O)CCO)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1Sugarmoiety:
CC1(C)C(O)OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 16 |
| MolWt: | 675.82 | Num_heavy_atoms: | 48 |
| TPSA: | 198.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD00163
Formula: C5H8
Smiles:
C=CC=CC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 68.12 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD46606
Formula: C24H35O7N
Smiles:
COC(C(C)=CC=CCN=C(O)CCO)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 13 |
| MolWt: | 449.54 | Num_heavy_atoms: | 32 |
| TPSA: | 128.81 | NumAromaticRings: | 0 |
