Glycoside
...
GD157136

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

Formula:
C45H72O23

Smiles:
CC(=O)C1C(OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C

Aglycone:
CC(=O)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C

Sugarmoiety:
OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 14 FractionCSP3: 0.93
AlogP: -5.22 Num_rotatable_bonds: 13
MolWt: 981.05 Num_heavy_atoms: 68
TPSA: 374.13 NumAromaticRings: 0

Unique Aglycone
AD50848
Formula: C21H32O3

Smiles:
CC(=O)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.86
AlogP: 3.49 Num_rotatable_bonds: 1
MolWt: 332.48 Num_heavy_atoms: 24
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD05100

OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O