Glycoside
...
GD130776

Name:
2-{[9b-(hydroxymethyl)-1-(6-methoxy-6-methylhept-4-en-2-yl)-3a,6,6,11a-tetramethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C37H62O8

Smiles:
COC(C)(C)C=CCC(C)C1CCC2(C)C3CC=C4C(CCC(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(CO)CCC12C

Aglycone:
COC(C)(C)C=CCC(C)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(CO)CCC12C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 8 RingCount: 5
HBD: 5 FractionCSP3: 0.89
AlogP: 4.76 Num_rotatable_bonds: 9
MolWt: 634.89 Num_heavy_atoms: 45
TPSA: 128.84 NumAromaticRings: 0

Unique Aglycone
AD52991
Formula: C31H52O3

Smiles:
COC(C)(C)C=CCC(C)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(CO)CCC12C
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.87
AlogP: 6.93 Num_rotatable_bonds: 6
MolWt: 472.75 Num_heavy_atoms: 34
TPSA: 49.69 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O