Glycoside
...
GD152552

Name:
3-{[3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-6,8,9-trihydroxy-7-methyl-1-oxo-1,2,3,4-tetrahydroanthracen-2-yl]oxy}-6-({5-hydroxy-4-[(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-2-methyloxan-4-yl acetate

Formula:
C42H58O19

Smiles:
COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1OC1C(C)OC(OC2CC(OC3CC(O)C(OC)C(C)O3)C(O)C(C)O2)CC1OC(C)=O

Aglycone:
Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3

Sugarmoiety:
COC(O)C(=O)C(O)C(C)O.COC1C(O)CC(OC2CC(OC3CC(OC(C)=O)C(O)C(C)O3)OC(C)C2O)OC1C

Other Identifiers

Properties
HBA: 19 RingCount: 6
HBD: 7 FractionCSP3: 0.69
AlogP: 1.17 Num_rotatable_bonds: 13
MolWt: 866.91 Num_heavy_atoms: 61
TPSA: 275.89 NumAromaticRings: 2

Unique Aglycone
AD00382
Formula: C15H14O5

Smiles:
Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3
HBA: 5 RingCount: 3
HBD: 4 FractionCSP3: 0.27
AlogP: 1.75 Num_rotatable_bonds: 0
MolWt: 274.27 Num_heavy_atoms: 20
TPSA: 97.99 NumAromaticRings: 2

Sugarmoiety
SD10029

COC(O)C(=O)C(O)C(C)O.COC1C(O)CC(OC2CC(OC3CC(OC(C)=O)C(O)C(C)O3)OC(C)C2O)OC1C