Glycoside
...
GD139689

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

Formula:
C39H58O17

Smiles:
CC1OC(OC2CCC3(C)C(CCC4(O)C3CCC3(C)C(C5=CC(=O)OC5)CC(=O)C34O)C2)CC(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O

Aglycone:
CC12CCC(O)CC1CCC1(O)C2CCC2(C)C(C3=CC(=O)OC3)CC(=O)C21O

Sugarmoiety:
CC1OC(O)CC(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 8 FractionCSP3: 0.9
AlogP: -1.29 Num_rotatable_bonds: 8
MolWt: 798.88 Num_heavy_atoms: 56
TPSA: 260.59 NumAromaticRings: 0

Unique Aglycone
AD54211
Formula: C23H32O6

Smiles:
CC12CCC(O)CC1CCC1(O)C2CCC2(C)C(C3=CC(=O)OC3)CC(=O)C21O
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.83
AlogP: 1.9 Num_rotatable_bonds: 1
MolWt: 404.5 Num_heavy_atoms: 29
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD07050

CC1OC(O)CC(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O