Glycoside
...
GD152313

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

Formula:
C51H86O24

Smiles:
CC(CCC(O)(O)C(C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC21C)COC1OC(CO)C(O)C(O)C1O

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

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

Other Identifiers

Properties
HBA: 24 RingCount: 8
HBD: 16 FractionCSP3: 0.96
AlogP: -4.05 Num_rotatable_bonds: 17
MolWt: 1083.23 Num_heavy_atoms: 75
TPSA: 397.52 NumAromaticRings: 0

Unique Aglycone
AD60659
Formula: C27H46O5

Smiles:
CC(CO)CCC(O)(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 5 RingCount: 4
HBD: 5 FractionCSP3: 0.93
AlogP: 3.62 Num_rotatable_bonds: 6
MolWt: 450.66 Num_heavy_atoms: 32
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD01864

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