Glycoside
...
GD145529

Name:
1-{7-[(6-{[(3-{[4,5-dihydroxy-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]-2-hydroxy-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:
C52H84O23

Smiles:
CCC(=O)C1CC(C)C2(O1)C(O)CC1(C)C3=C(CCC12C)C1(C)CCC(OC2OC(COC4OCC(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(O)C(O)C2O)C(C)(CO)C1CC3

Aglycone:
CCC(=O)C1CC(C)C2(O1)C(O)CC1(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(CO)C1CC3

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

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 13 FractionCSP3: 0.94
AlogP: -2.47 Num_rotatable_bonds: 13
MolWt: 1077.22 Num_heavy_atoms: 75
TPSA: 363.13 NumAromaticRings: 0

Unique Aglycone
AD49805
Formula: C29H46O5

Smiles:
CCC(=O)C1CC(C)C2(O1)C(O)CC1(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(CO)C1CC3
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 4.57 Num_rotatable_bonds: 3
MolWt: 474.68 Num_heavy_atoms: 34
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD01538

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