Glycoside
...
GD138927

Name:
2-[6,6-bis(hydroxymethyl)-5'-(1-hydroxypropyl)-3',3a,9a,11a-tetramethyl-2,3,3a,4,5,5a,6,7,8,9,9a,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]oxy]-6-[({3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)methyl]oxane-3,4,5-triol

Formula:
C56H92O27

Smiles:
CCC(O)C1CC(C)C2(CCC3(C)C4=C(CCC32C)C2(C)CCC(OC3OC(COC5OCC(O)C(O)C5OC5OC(CO)C(O)C(OC6OCC(O)C(O)C6O)C5OC5OCC(O)(CO)C5O)C(O)C(O)C3O)C(CO)(CO)C2CC4)O1

Aglycone:
CCC(O)C1CC(C)C2(CCC3(C)C4=C(CCC32C)C2(C)CCC(O)C(CO)(CO)C2CC4)O1

Sugarmoiety:
OCC1OC(OC2C(OCC3OC(O)C(O)C(O)C3O)OCC(O)C2O)C(OC2OCC(O)(CO)C2O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 16 FractionCSP3: 0.96
AlogP: -4.6 Num_rotatable_bonds: 17
MolWt: 1197.33 Num_heavy_atoms: 83
TPSA: 425.21 NumAromaticRings: 0

Unique Aglycone
AD56046
Formula: C29H48O5

Smiles:
CCC(O)C1CC(C)C2(CCC3(C)C4=C(CCC32C)C2(C)CCC(O)C(CO)(CO)C2CC4)O1
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.93
AlogP: 4.36 Num_rotatable_bonds: 4
MolWt: 476.7 Num_heavy_atoms: 34
TPSA: 90.15 NumAromaticRings: 0

Sugarmoiety
SD08373

OCC1OC(OC2C(OCC3OC(O)C(O)C(O)C3O)OCC(O)C2O)C(OC2OCC(O)(CO)C2O)C(OC2OCC(O)C(O)C2O)C1O