Glycoside
...
GD116961

Name:
3a,3b-dihydroxy-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-1-{1-[(3-methylbutanoyl)oxy]ethyl}-hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl benzoate

Formula:
C52H80O21

Smiles:
COC1C(O)C(OC2CCC3(C)C(CCC4(O)C3CCC3(C)C(C(C)OC(=O)CC(C)C)CC(OC(=O)c5ccccc5)C34O)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC(C)CC(=O)OC(C)C1CC(OC(=O)c2ccccc2)C2(O)C1(C)CCC1C3(C)CCC(O)CC3CCC12O

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

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 10 FractionCSP3: 0.85
AlogP: 0.2 Num_rotatable_bonds: 15
MolWt: 1041.19 Num_heavy_atoms: 73
TPSA: 319.51 NumAromaticRings: 1

Unique Aglycone
AD46553
Formula: C33H48O7

Smiles:
CC(C)CC(=O)OC(C)C1CC(OC(=O)c2ccccc2)C2(O)C1(C)CCC1C3(C)CCC(O)CC3CCC12O
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.76
AlogP: 5.05 Num_rotatable_bonds: 6
MolWt: 556.74 Num_heavy_atoms: 40
TPSA: 113.29 NumAromaticRings: 1

Sugarmoiety
SD00606

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