Glycoside
...
GD129221

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

Formula:
C49H76O20

Smiles:
CC(=O)OC1CC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(O)CC43O)C2)OC(C)C1OC1CC(O)C(OC2CC(O)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1

Aglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(O)CC12O

Sugarmoiety:
CC(=O)OC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(O)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 8 FractionCSP3: 0.92
AlogP: 0.61 Num_rotatable_bonds: 11
MolWt: 985.13 Num_heavy_atoms: 69
TPSA: 288.28 NumAromaticRings: 0

Unique Aglycone
AD06461
Formula: C23H34O5

Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(O)CC12O
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 2.58 Num_rotatable_bonds: 1
MolWt: 390.52 Num_heavy_atoms: 28
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD07063

CC(=O)OC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(O)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1