Glycoside
...
GD144142

Name:
[9-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-1-(3-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

Formula:
C44H74O20S

Smiles:
CC(C)CCC(O)C(C)C1C(OC2OC(CO)C(O)C(O)C2O)CC2C3CC=C4CC(OS(=O)(=O)O)CC(OC5OCC(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4(C)C3CCC21C

Aglycone:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(OS(=O)(=O)O)CC(O)C4(C)C3CCC21C

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 11 FractionCSP3: 0.95
AlogP: -0.73 Num_rotatable_bonds: 14
MolWt: 955.12 Num_heavy_atoms: 65
TPSA: 321.28 NumAromaticRings: 0

Unique Aglycone
AD57940
Formula: C27H46O7S

Smiles:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(OS(=O)(=O)O)CC(O)C4(C)C3CCC21C
HBA: 7 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 4.13 Num_rotatable_bonds: 7
MolWt: 514.73 Num_heavy_atoms: 35
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD00213

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O