Glycoside
...
GD015361

Name:
4-(6-hydroxy-7-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-2,4b-dimethyl-1-oxo-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-2-yl)-5-methyl-2,5-dihydrofuran-2-one

Formula:
C42H64O14

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]4CC5=CC[C@@H]6C(=O)[C@@](C)(C7=CC(=O)O[C@H]7C)CC[C@H]6[C@@]5(C)C[C@H]4O)C[C@H]3OC)C[C@H]2OC)O[C@@H](C)[C@H]1O

Aglycone:
CC1OC(=O)C=C1C1(C)CCC2C(CC=C3CC(O)C(O)CC32C)C1=O

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 2 FractionCSP3: 0.86
AlogP: 3.92 Num_rotatable_bonds: 10
MolWt: 792.96 Num_heavy_atoms: 56
TPSA: 166.9 NumAromaticRings: 0

Unique Aglycone
AD11172
Formula: C21H28O5

Smiles:
CC1OC(=O)C=C1C1(C)CCC2C(CC=C3CC(O)C(O)CC32C)C1=O
HBA: 5 RingCount: 4
HBD: 2 FractionCSP3: 0.71
AlogP: 2.31 Num_rotatable_bonds: 1
MolWt: 360.45 Num_heavy_atoms: 26
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD00437

COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1O