Glycoside
...
GD132315

Name:
[5-(acetyloxy)-3,4-dihydroxy-6-[1,4,5-trihydroxy-7-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]oxan-2-yl]methyl acetate

Formula:
C25H26O12

Smiles:
CC(=O)OCC1OC(C2c3cc(CO)cc(O)c3C(=O)c3c(O)ccc(O)c32)C(OC(C)=O)C(O)C1O

Aglycone:
COC(C)=O.O=C1c2c(O)cc(CO)cc2Cc2c(O)ccc(O)c21

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 6 FractionCSP3: 0.4
AlogP: -0.04 Num_rotatable_bonds: 5
MolWt: 518.47 Num_heavy_atoms: 37
TPSA: 200.28 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD51533
Formula: C15H12O5

Smiles:
O=C1c2c(O)cc(CO)cc2Cc2c(O)ccc(O)c21
HBA: 5 RingCount: 3
HBD: 4 FractionCSP3: 0.13
AlogP: 1.43 Num_rotatable_bonds: 1
MolWt: 272.26 Num_heavy_atoms: 20
TPSA: 97.99 NumAromaticRings: 2

Sugarmoiety
SD00776

CC(=O)OC1C(O)OC(O)C(O)C1O