Glycoside

GD124886
Name:
1-(3,4-dihydronaphthalen-2-yl)-5-hydroxy-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:
C38H39O11NSmiles:
CC(=O)Oc1cc(CO)c2c(c1C1=Cc3ccccc3CC1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(C3CCNCC3)c(O)c1C2=OAglycone:
CC(=O)Oc1cc(CO)c2c(c1C1=Cc3ccccc3CC1)C(=O)c1cc(O)c(C3CCNCC3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 7 |
HBD: | 6 | FractionCSP3: | 0.39 |
AlogP: | 2.75 | Num_rotatable_bonds: | 6 |
MolWt: | 685.73 | Num_heavy_atoms: | 50 |
TPSA: | 192.08 | NumAromaticRings: | 3 |
Unique Aglycone
AD50484
Formula: C32H29O7N
Smiles:
CC(=O)Oc1cc(CO)c2c(c1C1=Cc3ccccc3CC1)C(=O)c1cc(O)c(C3CCNCC3)c(O)c1C2=OHBA: | 8 | RingCount: | 6 |
HBD: | 4 | FractionCSP3: | 0.28 |
AlogP: | 4.24 | Num_rotatable_bonds: | 4 |
MolWt: | 539.58 | Num_heavy_atoms: | 40 |
TPSA: | 133.16 | NumAromaticRings: | 3 |