Glycoside
...
GD149417

Name:
2-{[2-(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11-hydroxy-3a,3b,6,6-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-7-hydroxy-6-methylhept-5-en-2-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

Formula:
C52H88O23

Smiles:
CC(=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C)CO

Aglycone:
CC(=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3CCC(O)C(C)(C)C3CCC12C)CO

Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 15 FractionCSP3: 0.96
AlogP: -2.98 Num_rotatable_bonds: 16
MolWt: 1081.25 Num_heavy_atoms: 75
TPSA: 377.29 NumAromaticRings: 0

Unique Aglycone
AD56228
Formula: C29H50O4

Smiles:
CC(=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3CCC(O)C(C)(C)C3CCC12C)CO
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 5.08 Num_rotatable_bonds: 5
MolWt: 462.72 Num_heavy_atoms: 33
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00272

OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O