Glycoside
...
GD153602

Name:
2-[(2-{[3,5-dihydroxy-2-({11-hydroxy-1-[4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6-(hydroxymethyl)-3a,3b,6,9a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl}oxy)-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:
C48H82O19

Smiles:
CC1OC(OC2C(OC3C(O)C(CO)OC(OC4CCC5(C)C(CCC6(C)C5CC(O)C5C(C7(C)CC(O)C(C(C)(C)O)O7)CCC56C)C4(C)CO)C3O)OC(C)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC(C)(O)C1OC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(CO)C4CCC23C)CC1O

Sugarmoiety:
CC1OC(OC2C(OC3C(O)C(O)OC(CO)C3O)OC(C)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 12 FractionCSP3: 1.0
AlogP: -0.82 Num_rotatable_bonds: 10
MolWt: 963.17 Num_heavy_atoms: 67
TPSA: 307.37 NumAromaticRings: 0

Unique Aglycone
AD47427
Formula: C30H52O6

Smiles:
CC(C)(O)C1OC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(CO)C4CCC23C)CC1O
HBA: 6 RingCount: 5
HBD: 5 FractionCSP3: 1.0
AlogP: 3.66 Num_rotatable_bonds: 3
MolWt: 508.74 Num_heavy_atoms: 36
TPSA: 110.38 NumAromaticRings: 0

Sugarmoiety
SD04856

CC1OC(OC2C(OC3C(O)C(O)OC(CO)C3O)OC(C)C(O)C2O)C(O)C(O)C1O