Glycoside
...
GD127922

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

Formula:
C48H82O18

Smiles:
CC(C)=CC(C)CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CC(O)C12

Aglycone:
CC(C)=CC(C)CC(C)(O)C1CCC2(C)C3CCC4C(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: 18 RingCount: 7
HBD: 12 FractionCSP3: 0.96
AlogP: -0.17 Num_rotatable_bonds: 13
MolWt: 947.17 Num_heavy_atoms: 66
TPSA: 298.14 NumAromaticRings: 0

Unique Aglycone
AD51818
Formula: C30H52O3

Smiles:
CC(C)=CC(C)CC(C)(O)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C3CC(O)C12
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.93
AlogP: 6.36 Num_rotatable_bonds: 4
MolWt: 460.74 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD00069

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