Glycoside
...
GD121576

Name:
7-({6-[({3-[(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-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]-3-one

Formula:
C64H102O33

Smiles:
CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC32C)C2(C)CCC(OC3OC(COC5OCC(O)C(O)C5OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C5OC5OC(C)C(O)C(O)C5O)C(O)C(O)C3O)C(C)(CO)C2CC4)O1

Aglycone:
CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC32C)C2(C)CCC(O)C(C)(CO)C2CC4)O1

Sugarmoiety:
CC1OC(OC2C(OC3C(OCC4OC(O)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 11
HBD: 18 FractionCSP3: 0.94
AlogP: -6.61 Num_rotatable_bonds: 19
MolWt: 1399.49 Num_heavy_atoms: 97
TPSA: 518.27 NumAromaticRings: 0

Unique Aglycone
AD07980
Formula: C29H44O5

Smiles:
CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC32C)C2(C)CCC(O)C(C)(CO)C2CC4)O1
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.86
AlogP: 4.77 Num_rotatable_bonds: 3
MolWt: 472.67 Num_heavy_atoms: 34
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD05838

CC1OC(OC2C(OC3C(OCC4OC(O)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O