Glycoside
...
GD142507

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

Formula:
C58H96O28

Smiles:
CC(CO)=C(C)CC(OC1OC(CO)C(O)C(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC12C

Aglycone:
CC(CO)=C(C)CC(O)C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 9
HBD: 18 FractionCSP3: 0.93
AlogP: -5.24 Num_rotatable_bonds: 20
MolWt: 1241.38 Num_heavy_atoms: 86
TPSA: 456.44 NumAromaticRings: 0

Unique Aglycone
AD57342
Formula: C28H46O3

Smiles:
CC(CO)=C(C)CC(O)C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.86
AlogP: 5.64 Num_rotatable_bonds: 5
MolWt: 430.67 Num_heavy_atoms: 31
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD01001

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O