Glycoside
...
GD128711

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

Formula:
C48H82O18

Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C3CC(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C4C(C)(C)C(O)CCC4(C)C3CC(OC3OC(CO)C(O)C(O)C3O)C12C

Aglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C3CC(O)C4C(C)(C)C(O)CCC4(C)C3CC(O)C12C

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 12 FractionCSP3: 0.96
AlogP: -0.03 Num_rotatable_bonds: 12
MolWt: 947.17 Num_heavy_atoms: 66
TPSA: 298.14 NumAromaticRings: 0

Unique Aglycone
AD52134
Formula: C30H52O4

Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C3CC(O)C4C(C)(C)C(O)CCC4(C)C3CC(O)C12C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 5.47 Num_rotatable_bonds: 4
MolWt: 476.74 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00525

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O