Glycoside
...
GD122596

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

Formula:
C36H54O12

Smiles:
COC(C)(C)C=CC(O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12C

Aglycone:
COC(C)(C)C=CC(O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(O)c(O)c4C)C3(C)C(=O)CC12C

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 8 FractionCSP3: 0.75
AlogP: 1.16 Num_rotatable_bonds: 8
MolWt: 678.82 Num_heavy_atoms: 48
TPSA: 206.6 NumAromaticRings: 1

Unique Aglycone
AD49416
Formula: C30H44O7

Smiles:
COC(C)(C)C=CC(O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(O)c(O)c4C)C3(C)C(=O)CC12C
HBA: 7 RingCount: 4
HBD: 5 FractionCSP3: 0.7
AlogP: 3.69 Num_rotatable_bonds: 5
MolWt: 516.68 Num_heavy_atoms: 37
TPSA: 127.45 NumAromaticRings: 1

Sugarmoiety
SD00003

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