Glycoside
...
GD123423

Name:
1-[7-({6-[({3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)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:
C51H82O23

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)C4OC4OCC(O)(CO)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:
OCC1OC(OC2C(OCC3OC(O)C(O)C(O)C3O)OCC(O)C2O)C(OC2OCC(O)(CO)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 13 FractionCSP3: 0.94
AlogP: -2.86 Num_rotatable_bonds: 14
MolWt: 1063.19 Num_heavy_atoms: 74
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
SD01853

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