Glycoside
...
GD137307

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

Formula:
C52H88O22

Smiles:
CC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)COC1OC(CO)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

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

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(OC3C(O)OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 14 FractionCSP3: 0.96
AlogP: -2.1 Num_rotatable_bonds: 18
MolWt: 1065.25 Num_heavy_atoms: 74
TPSA: 357.06 NumAromaticRings: 0

Unique Aglycone
AD45498
Formula: C28H48O2

Smiles:
CC(CO)C(C)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
HBA: 2 RingCount: 4
HBD: 2 FractionCSP3: 0.93
AlogP: 6.61 Num_rotatable_bonds: 6
MolWt: 416.69 Num_heavy_atoms: 30
TPSA: 40.46 NumAromaticRings: 0

Sugarmoiety
SD04790

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(OC3C(O)OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1O