Glycoside
...
GD013664

Name:
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)-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:
C51H80O23

Smiles:
CCC(=O)[C@@H]1C[C@H](C)[C@@]2(CC(=O)[C@]3(C)C4=C(CC[C@]32C)[C@]2(C)CC[C@H](O[C@@H]3O[C@H](CO[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@H](O)[C@H](O)[C@H]3O)[C@](C)(CO)[C@H]2CC4)O1

Aglycone:
CCC(=O)C1CC(C)C2(CC(=O)C3(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(OC2OCC(O)(CO)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 12 FractionCSP3: 0.92
AlogP: -2.65 Num_rotatable_bonds: 14
MolWt: 1061.18 Num_heavy_atoms: 74
TPSA: 359.97 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
SD01853

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