Glycoside
GD124137
Name:
5-{[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-ylidene](hydroxy)methyl}-3,4-dihydroxy-2-[3-(4-hydroxyphenyl)prop-2-enoyl]-4-[3,5,6-trihydroxy-4-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-oneFormula:
C27H31O14NSmiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)(C2OC(O)C(O)C(CO)C2O)C(C(O)=C2NC(CO)C(O)C2O)=CC1=OAglycone:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)C(C(O)=C2NC(CO)C(O)C2O)=CC1=OSugarmoiety:
OCC1C(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.41 |
| AlogP: | -3.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 593.54 | Num_heavy_atoms: | 42 |
| TPSA: | 277.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD50126
Formula: C21H21O9N
Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)C(C(O)=C2NC(CO)C(O)C2O)=CC1=O| HBA: | 10 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.24 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 431.4 | Num_heavy_atoms: | 31 |
| TPSA: | 187.78 | NumAromaticRings: | 1 |
