Glycoside
...
GD150498

Name:
2-{[2-(9,11-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)-7-hydroxy-6-methylhept-5-en-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

Formula:
C48H82O20

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

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

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

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 14 FractionCSP3: 0.96
AlogP: -2.08 Num_rotatable_bonds: 14
MolWt: 979.16 Num_heavy_atoms: 68
TPSA: 338.6 NumAromaticRings: 0

Unique Aglycone
AD58548
Formula: C30H52O5

Smiles:
CC(=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)C(O)CC(O)C(C)(C)C3CCC12C)CO
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
SD00518

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