Glycoside
GD126452
Name:
6-[(3-{4-[(2-aminoacetyl)oxy]phenyl}prop-2-enoyl)oxy]-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C27H33O13NSmiles:
CC1C(OC(=O)C=Cc2ccc(OC(=O)CN)cc2)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1C(OC(=O)C=Cc2ccc(OC(=O)CN)cc2)CC2C(C(=O)O)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 579.56 | Num_heavy_atoms: | 41 |
| TPSA: | 224.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD51169
Formula: C21H23O8N
Smiles:
CC1C(OC(=O)C=Cc2ccc(OC(=O)CN)cc2)CC2C(C(=O)O)=COC(O)C21| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 417.41 | Num_heavy_atoms: | 30 |
| TPSA: | 145.38 | NumAromaticRings: | 1 |
