Glycoside
...
GD123365

Name:
2-[(2-{[4a,6a,7-trimethyl-8-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-1H,2H,3H,4H,4aH,4bH,5H,6H,6aH,11H,11aH,11bH,12H-indeno[2,1-a]phenanthren-2-yl]oxy}-5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:
C52H80O20

Smiles:
Cc1c(CCC(C)COC2OC(CO)C(O)C(O)C2O)ccc2c1C1(C)CCC3C(CC=C4CC(OC5OC(CO)C(OC6OC(CO)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC43C)C1C2

Aglycone:
Cc1c(CCC(C)CO)ccc2c1C1(C)CCC3C(CC=C4CC(O)CCC43C)C1C2

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

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 12 FractionCSP3: 0.85
AlogP: -1.14 Num_rotatable_bonds: 15
MolWt: 1025.19 Num_heavy_atoms: 72
TPSA: 316.6 NumAromaticRings: 1

Unique Aglycone
AD22394
Formula: C29H42O2

Smiles:
Cc1c(CCC(C)CO)ccc2c1C1(C)CCC3C(CC=C4CC(O)CCC43C)C1C2
HBA: 2 RingCount: 5
HBD: 2 FractionCSP3: 0.72
AlogP: 5.89 Num_rotatable_bonds: 4
MolWt: 422.65 Num_heavy_atoms: 31
TPSA: 40.46 NumAromaticRings: 1

Sugarmoiety
SD02281

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