Glycoside
...
GD027481

Name:
7-{[5-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetate

Formula:
C43H66O15

Smiles:
CC(=O)O[C@@H]1CC2(O)C3CCC4CC(O[C@@H]5C[C@H](O)[C@H](O[C@@H]6C[C@H](O)[C@H](O[C@@H]7C[C@H](O)[C@H](O)[C@H](C)O7)[C@H](C)O6)[C@H](C)O5)CCC4(C)C3CCC2(C)[C@H]1C1=CC(=O)OC1

Aglycone:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1

Sugarmoiety:
CC1OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 5 FractionCSP3: 0.91
AlogP: 2.79 Num_rotatable_bonds: 8
MolWt: 822.99 Num_heavy_atoms: 58
TPSA: 209.13 NumAromaticRings: 0

Unique Aglycone
AD01727
Formula: C25H36O6

Smiles:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.84
AlogP: 3.15 Num_rotatable_bonds: 2
MolWt: 432.56 Num_heavy_atoms: 31
TPSA: 93.06 NumAromaticRings: 0

Sugarmoiety
SD00231

CC1OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC(O)C1O