Glycoside
...
GD131851

Name:
2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7,11-dihydroxy-3,3a,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C48H82O19

Smiles:
CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CC(C)C2(C)C3CC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C4C(C)(C)C(O)CCC4(C)C3CC(O)C12

Aglycone:
CC(C)=CCCC(C)(O)C1CC(C)C2(C)C3CC(O)C4C(C)(C)C(O)CCC4(C)C3CC(O)C12

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 13 FractionCSP3: 0.96
AlogP: -1.2 Num_rotatable_bonds: 13
MolWt: 963.17 Num_heavy_atoms: 67
TPSA: 318.37 NumAromaticRings: 0

Unique Aglycone
AD53400
Formula: C30H52O4

Smiles:
CC(C)=CCCC(C)(O)C1CC(C)C2(C)C3CC(O)C4C(C)(C)C(O)CCC4(C)C3CC(O)C12
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 5.33 Num_rotatable_bonds: 4
MolWt: 476.74 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00069

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O