Glycoside
...
GD033235

Name:
1,3a,3b-trihydroxy-7-[(5-{[5-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl acetate

Formula:
C57H94O25

Smiles:
CO[C@H]1C[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4CC[C@]5(C)C(=CC[C@]6(O)[C@H]5C[C@H](OC(C)=O)[C@]5(C)[C@](O)([C@H](C)O)CC[C@]65O)C4)C[C@H]3OC)C[C@H]2OC)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](OC)[C@H]1O

Aglycone:
CC(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(O)(C(C)O)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 25 RingCount: 9
HBD: 9 FractionCSP3: 0.95
AlogP: 0.13 Num_rotatable_bonds: 17
MolWt: 1179.35 Num_heavy_atoms: 82
TPSA: 337.59 NumAromaticRings: 0

Unique Aglycone
AD11180
Formula: C23H36O7

Smiles:
CC(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(O)(C(C)O)C12C
HBA: 7 RingCount: 4
HBD: 5 FractionCSP3: 0.87
AlogP: 1.19 Num_rotatable_bonds: 2
MolWt: 424.53 Num_heavy_atoms: 30
TPSA: 127.45 NumAromaticRings: 0

Sugarmoiety
SD00904

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1