Glycoside

GD132973
Name:
5-hydroxy-1-{2-[3-(2-hydroxyethyl)phenyl]ethenyl}-4-(hydroxymethyl)-9,10-dioxo-6-(piperidin-4-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C38H41O12NSmiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCO)c1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(C3CCNCC3)c(O)c1C2=OAglycone:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCO)c1)C(=O)c1cc(O)c(C3CCNCC3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 6 |
HBD: | 7 | FractionCSP3: | 0.39 |
AlogP: | 1.96 | Num_rotatable_bonds: | 9 |
MolWt: | 703.74 | Num_heavy_atoms: | 51 |
TPSA: | 212.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD53831
Formula: C32H31O8N
Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCO)c1)C(=O)c1cc(O)c(C3CCNCC3)c(O)c1C2=OHBA: | 9 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 0.28 |
AlogP: | 3.46 | Num_rotatable_bonds: | 7 |
MolWt: | 557.6 | Num_heavy_atoms: | 41 |
TPSA: | 153.39 | NumAromaticRings: | 3 |