Glycoside
...
GD123201

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

Formula:
C46H66O20

Smiles:
COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CCC(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C(O)C(C)O1

Aglycone:
Cc1c(OC2CCC(O)C(C)O2)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3

Sugarmoiety:
CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.COC(O)C(=O)C(O)C(C)O

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 9 FractionCSP3: 0.74
AlogP: 0.9 Num_rotatable_bonds: 13
MolWt: 939.01 Num_heavy_atoms: 66
TPSA: 299.28 NumAromaticRings: 2

Unique Aglycone
AD49702
Formula: C21H24O7

Smiles:
Cc1c(OC2CCC(O)C(C)O2)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3
HBA: 7 RingCount: 4
HBD: 4 FractionCSP3: 0.48
AlogP: 2.31 Num_rotatable_bonds: 2
MolWt: 388.42 Num_heavy_atoms: 28
TPSA: 116.45 NumAromaticRings: 2

Sugarmoiety
SD00441

CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.COC(O)C(=O)C(O)C(C)O