Glycoside
...
GD156996

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

Formula:
C53H90O22

Smiles:
CCC1C(OC(C)(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC)CC2C3CC=C4CC(OC5OC(CO)C(O)C(OC6CC(O)C(O)C(CO)O6)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC12C

Aglycone:
CCC1C(OC(C)(CCC(C)CO)OC)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2CC(O)C(O)C(CO)O2)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 12 FractionCSP3: 0.96
AlogP: -0.54 Num_rotatable_bonds: 19
MolWt: 1079.28 Num_heavy_atoms: 75
TPSA: 335.06 NumAromaticRings: 0

Unique Aglycone
AD62112
Formula: C29H50O4

Smiles:
CCC1C(OC(C)(CCC(C)CO)OC)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.93
AlogP: 6.1 Num_rotatable_bonds: 8
MolWt: 462.72 Num_heavy_atoms: 33
TPSA: 58.92 NumAromaticRings: 0

Sugarmoiety
SD10528

CC1OC(OC2C(O)OC(CO)C(O)C2OC2CC(O)C(O)C(CO)O2)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O