Glycoside
...
GD135210

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

Formula:
C47H80O18

Smiles:
CC(C)=CCCC(O)(C1CCC2(C)C1CCC1C3(CO)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C)C1OC(CO)C(O)C(O)C1O

Aglycone:
CC(C)=CCCC(O)C1CCC2(C)C1CCC1C3(CO)CCC(O)C(C)(C)C3CCC12C

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: 13 FractionCSP3: 0.96
AlogP: -1.03 Num_rotatable_bonds: 13
MolWt: 933.14 Num_heavy_atoms: 65
TPSA: 309.14 NumAromaticRings: 0

Unique Aglycone
AD44862
Formula: C29H50O3

Smiles:
CC(C)=CCCC(O)C1CCC2(C)C1CCC1C3(CO)CCC(O)C(C)(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.93
AlogP: 6.11 Num_rotatable_bonds: 5
MolWt: 446.72 Num_heavy_atoms: 32
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