Glycoside
...
GD124448

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

Formula:
C46H74O18

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

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

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

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 10 FractionCSP3: 0.93
AlogP: -0.29 Num_rotatable_bonds: 11
MolWt: 915.08 Num_heavy_atoms: 64
TPSA: 283.98 NumAromaticRings: 0

Unique Aglycone
AD10612
Formula: C29H46O4

Smiles:
CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC32C)C2(C)CCC(O)C(C)(CO)C2CC4)O1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 5.6 Num_rotatable_bonds: 3
MolWt: 458.68 Num_heavy_atoms: 33
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD05908

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