Glycoside
...
GD003824

Name:
3a-hydroxy-7-[(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]-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carboxylic acid

Formula:
C42H64O20

Smiles:
CO[C@H]1[C@H](O)[C@@H](O[C@@H]2CC[C@]3(C(=O)O)[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](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC12CCC3C(CCC4CC(O)CCC43C(=O)O)C1(O)CCC2C1=CC(=O)OC1

Sugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 10 FractionCSP3: 0.9
AlogP: -2.18 Num_rotatable_bonds: 11
MolWt: 888.95 Num_heavy_atoms: 62
TPSA: 310.28 NumAromaticRings: 0

Unique Aglycone
AD02010
Formula: C23H32O6

Smiles:
CC12CCC3C(CCC4CC(O)CCC43C(=O)O)C1(O)CCC2C1=CC(=O)OC1
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.83
AlogP: 2.67 Num_rotatable_bonds: 2
MolWt: 404.5 Num_heavy_atoms: 29
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD00606

COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O