Glycoside
...
GD129649

Name:
2-(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-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C46H76O22

Smiles:
COC1C(O)C(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)OC5OC(CO)C(O)C(O)C5O)CCC43O)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C

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: 22 RingCount: 8
HBD: 13 FractionCSP3: 0.96
AlogP: -3.6 Num_rotatable_bonds: 13
MolWt: 981.09 Num_heavy_atoms: 68
TPSA: 346.06 NumAromaticRings: 0

Unique Aglycone
AD46291
Formula: C21H34O3

Smiles:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.9
AlogP: 3.42 Num_rotatable_bonds: 1
MolWt: 334.5 Num_heavy_atoms: 24
TPSA: 60.69 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