Glycoside
...
GD025455

Name:
4-[3a-hydroxy-7-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one

Formula:
C49H78O21

Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@@]43O)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@H](OC)[C@H]1O

Aglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O

Sugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(OC)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 9
HBD: 9 FractionCSP3: 0.94
AlogP: -0.71 Num_rotatable_bonds: 13
MolWt: 1003.14 Num_heavy_atoms: 70
TPSA: 300.67 NumAromaticRings: 0

Unique Aglycone
AD01378
Formula: C23H34O4

Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 3.6 Num_rotatable_bonds: 1
MolWt: 374.52 Num_heavy_atoms: 27
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD02651

COC1CC(O)OC(C)C1OC1OC(C)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(OC)C1O