Glycoside
...
GD126094

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

Formula:
C49H84O19

Smiles:
CC(CCC(O)C(C)(C)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3CC=C4C(C)(C)C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3(C)C(O)CC12C

Aglycone:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(C)(C)C(O)CCC4(C)C3(C)C(O)CC12C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 13 FractionCSP3: 0.96
AlogP: -0.67 Num_rotatable_bonds: 14
MolWt: 977.19 Num_heavy_atoms: 68
TPSA: 318.37 NumAromaticRings: 0

Unique Aglycone
AD51003
Formula: C31H54O4

Smiles:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(C)(C)C(O)CCC4(C)C3(C)C(O)CC12C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.94
AlogP: 5.86 Num_rotatable_bonds: 5
MolWt: 490.77 Num_heavy_atoms: 35
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00069

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O