Glycoside
...
GD117176

Name:
1-{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]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethan-1-one

Formula:
C46H76O23

Smiles:
COC1C(O)C(OC2CCC3(C)C(CCC4C3CCC3(C)C(C(=O)COC5OC(CO)C(O)C(O)C5O)CCC43O)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C(=O)CO)CCC12O

Sugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 13 FractionCSP3: 0.98
AlogP: -4.34 Num_rotatable_bonds: 14
MolWt: 997.09 Num_heavy_atoms: 69
TPSA: 363.13 NumAromaticRings: 0

Unique Aglycone
AD19818
Formula: C21H34O4

Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C(=O)CO)CCC12O
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.95
AlogP: 2.68 Num_rotatable_bonds: 2
MolWt: 350.5 Num_heavy_atoms: 25
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD05002

COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O