Glycoside
...
GD157209

Name:
2-{[2-(8,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-5-hydroxy-6-methylhept-6-en-2-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol

Formula:
C48H82O19

Smiles:
C=C(C)C(O)CCC(C)(OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CC(O)C(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C

Aglycone:
C=C(C)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CC(O)C(O)C(C)(C)C3CCC12C

Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 13 FractionCSP3: 0.96
AlogP: -1.06 Num_rotatable_bonds: 13
MolWt: 963.17 Num_heavy_atoms: 67
TPSA: 318.37 NumAromaticRings: 0

Unique Aglycone
AD55284
Formula: C30H52O5

Smiles:
C=C(C)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CC(O)C(O)C(C)(C)C3CCC12C
HBA: 5 RingCount: 4
HBD: 5 FractionCSP3: 0.93
AlogP: 4.44 Num_rotatable_bonds: 5
MolWt: 492.74 Num_heavy_atoms: 35
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD01267

CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O