Glycoside
...
GD148522

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

Formula:
C52H86O21

Smiles:
C=C(CCC(C)COC1OC(CO)C(O)C(O)C1O)OC1CC2C3CC=C4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC2(C)C1CC

Aglycone:
C=C(CCC(C)CO)OC1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)C1CC

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: 12 FractionCSP3: 0.92
AlogP: -0.39 Num_rotatable_bonds: 17
MolWt: 1047.24 Num_heavy_atoms: 73
TPSA: 325.83 NumAromaticRings: 0

Unique Aglycone
AD59433
Formula: C28H46O3

Smiles:
C=C(CCC(C)CO)OC1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)C1CC
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.86
AlogP: 6.25 Num_rotatable_bonds: 7
MolWt: 430.67 Num_heavy_atoms: 31
TPSA: 49.69 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