Glycoside
...
GD122480

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

Formula:
C52H86O21

Smiles:
C=C1CC2C(CC=C3CC(OC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4OC4OC(C)C(O)C(O)C4O)CCC32C)C2CC(OC3OC(CO)C(O)C(O)C3O)C(C(C)C(O)CCC(C)C)C12C

Aglycone:
C=C1CC2C(CC=C3CC(O)CCC32C)C2CC(O)C(C(C)C(O)CCC(C)C)C12C

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 13 FractionCSP3: 0.92
AlogP: -1.15 Num_rotatable_bonds: 15
MolWt: 1047.24 Num_heavy_atoms: 73
TPSA: 336.83 NumAromaticRings: 0

Unique Aglycone
AD49359
Formula: C28H46O3

Smiles:
C=C1CC2C(CC=C3CC(O)CCC32C)C2CC(O)C(C(C)C(O)CCC(C)C)C12C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.86
AlogP: 5.5 Num_rotatable_bonds: 5
MolWt: 430.67 Num_heavy_atoms: 31
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD00664

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O