Glycoside

GD123911
Name:
5-hydroxy-1-{2-[3-(2-hydroxyethyl)phenyl]ethenyl}-4-(hydroxymethyl)-6-methyl-9,10-dioxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C34H34O12Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCO)c1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(C)c(O)c1C2=OAglycone:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCO)c1)C(=O)c1cc(O)c(C)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 5 |
HBD: | 6 | FractionCSP3: | 0.32 |
AlogP: | 1.81 | Num_rotatable_bonds: | 8 |
MolWt: | 634.63 | Num_heavy_atoms: | 46 |
TPSA: | 200.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD50031
Formula: C28H24O8
Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCO)c1)C(=O)c1cc(O)c(C)c(O)c1C2=OHBA: | 8 | RingCount: | 4 |
HBD: | 4 | FractionCSP3: | 0.18 |
AlogP: | 3.3 | Num_rotatable_bonds: | 6 |
MolWt: | 488.49 | Num_heavy_atoms: | 36 |
TPSA: | 141.36 | NumAromaticRings: | 3 |