Glycoside
GD154624
Name:
7-[5-(8-{2-[2,4-dihydroxy-5,5-dimethyl-6-(penta-1,3-dien-1-yl)-3-[(2-phenylacetyl)oxy]oxan-2-yl]propanamido}-3-methoxy-4-methylocta-4,6-dien-2-yl)-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acidFormula:
C44H59O11NSmiles:
CC=CC=CC1OC(O)(C(C)C(O)=NCC=CC=C(C)C(OC)C(C)C2CC(O)C(C=CC=CC=CC(=O)O)O2)C(OC(=O)Cc2ccccc2)C(O)C1(C)CAglycone:
C=CC=CC.CCC(O)=NCC=CC=C(C)C(OC)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1.O=C(O)Cc1ccccc1Sugarmoiety:
CC1(C)C(O)OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 5.77 | Num_rotatable_bonds: | 18 |
| MolWt: | 777.95 | Num_heavy_atoms: | 56 |
| TPSA: | 184.57 | NumAromaticRings: | 1 |
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 |
AD00909
Formula: C8H8O2
Smiles:
O=C(O)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD49099
Formula: C24H35O6N
Smiles:
CCC(O)=NCC=CC=C(C)C(OC)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 12 |
| MolWt: | 433.55 | Num_heavy_atoms: | 31 |
| TPSA: | 108.58 | NumAromaticRings: | 0 |
