Glycoside
...
GD129105

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

Formula:
C52H84O23

Smiles:
CC1CC(C(C)C2CCC3C4CC=C5CC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC23C)OC(=O)C1C

Aglycone:
CC1CC(C(C)C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC(=O)C1C

Sugarmoiety:
OCC1OC(OCC2OC(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 13 FractionCSP3: 0.94
AlogP: -2.55 Num_rotatable_bonds: 14
MolWt: 1077.22 Num_heavy_atoms: 75
TPSA: 363.13 NumAromaticRings: 0

Unique Aglycone
AD52291
Formula: C28H44O3

Smiles:
CC1CC(C(C)C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC(=O)C1C
HBA: 3 RingCount: 5
HBD: 1 FractionCSP3: 0.89
AlogP: 6.15 Num_rotatable_bonds: 2
MolWt: 428.66 Num_heavy_atoms: 31
TPSA: 46.53 NumAromaticRings: 0

Sugarmoiety
SD07043

OCC1OC(OCC2OC(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O