Glycoside
...
GD124339

Name:
6-[7-({5-[(7,8-dimethoxyanthracen-1-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylheptanoic acid

Formula:
C52H70O10

Smiles:
COc1ccc2cc3cccc(OC4C(CO)OC(OC5CCC6(C)C(=CCC7=C6CCC6(C)C(C(C)CCCC(C)C(=O)O)CCC76C)C5(C)C)C(O)C4O)c3cc2c1OC

Aglycone:
CC(CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1=CC3)C(=O)O.COc1ccc2cc3cccc(O)c3cc2c1OC

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 8
HBD: 4 FractionCSP3: 0.63
AlogP: 9.78 Num_rotatable_bonds: 13
MolWt: 855.12 Num_heavy_atoms: 62
TPSA: 144.14 NumAromaticRings: 3

Unique Aglycone
AD50222
Formula: C30H48O3

Smiles:
CC(CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1=CC3)C(=O)O
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.83
AlogP: 7.54 Num_rotatable_bonds: 6
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0
AD50223
Formula: C16H14O3

Smiles:
COc1ccc2cc3cccc(O)c3cc2c1OC
HBA: 3 RingCount: 3
HBD: 1 FractionCSP3: 0.12
AlogP: 3.72 Num_rotatable_bonds: 2
MolWt: 254.28 Num_heavy_atoms: 19
TPSA: 38.69 NumAromaticRings: 3

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O