Glycoside
...
GD130582

Name:
7-({6-[({3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-6-(hydroxymethyl)-3',3a,6,9a,11a-pentamethyl-5'-propanoyl-2,3,3a,4,5,5a,6,7,8,9,9a,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-4'-yl acetate

Formula:
C59H94O29

Smiles:
CCC(=O)C1OC2(CCC3(C)C4=C(CCC32C)C2(C)CCC(OC3OC(COC5OCC(O)C(O)C5OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC5OCC(O)(CO)C5O)C(O)C(O)C3O)C(C)(CO)C2CC4)C(C)C1OC(C)=O

Aglycone:
CCC(=O)C1OC2(CCC3(C)C4=C(CCC32C)C2(C)CCC(O)C(C)(CO)C2CC4)C(C)C1OC(C)=O

Sugarmoiety:
OCC1OC(OC2C(O)C(CO)OC(OC3C(OCC4OC(O)C(O)C(O)C4O)OCC(O)C3O)C2OC2OCC(O)(CO)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 29 RingCount: 10
HBD: 15 FractionCSP3: 0.93
AlogP: -4.46 Num_rotatable_bonds: 18
MolWt: 1267.37 Num_heavy_atoms: 88
TPSA: 448.35 NumAromaticRings: 0

Unique Aglycone
AD49135
Formula: C31H48O6

Smiles:
CCC(=O)C1OC2(CCC3(C)C4=C(CCC32C)C2(C)CCC(O)C(C)(CO)C2CC4)C(C)C1OC(C)=O
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 5.14 Num_rotatable_bonds: 4
MolWt: 516.72 Num_heavy_atoms: 37
TPSA: 93.06 NumAromaticRings: 0

Sugarmoiety
SD07246

OCC1OC(OC2C(O)C(CO)OC(OC3C(OCC4OC(O)C(O)C(O)C4O)OCC(O)C3O)C2OC2OCC(O)(CO)C2O)C(O)C(O)C1O