Glycoside
...
GD152333

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

Formula:
C41H64O19

Smiles:
CC1OC(OC2CCC3(CO)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Aglycone:
CC12CCC3C(CCC4CC(O)CCC43CO)C1(O)CCC2C1=CC(=O)OC1

Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 11 FractionCSP3: 0.93
AlogP: -2.92 Num_rotatable_bonds: 10
MolWt: 860.94 Num_heavy_atoms: 60
TPSA: 304.21 NumAromaticRings: 0

Unique Aglycone
AD01385
Formula: C23H34O5

Smiles:
CC12CCC3C(CCC4CC(O)CCC43CO)C1(O)CCC2C1=CC(=O)OC1
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 2.58 Num_rotatable_bonds: 2
MolWt: 390.52 Num_heavy_atoms: 28
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD04917

CC1OC(O)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O