Glycoside
...
GD149995

Name:
1-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-7-hydroxy-3a,6,6,9b,11a-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl acetate

Formula:
C38H62O12

Smiles:
CC(=O)OC1CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)CCC2(C)C1C(C)(O)C(=O)CCC(C)(C)O

Aglycone:
CC(=O)OC1CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)CCC2(C)C1C(C)(O)C(=O)CCC(C)(C)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 7 FractionCSP3: 0.89
AlogP: 2.16 Num_rotatable_bonds: 9
MolWt: 710.9 Num_heavy_atoms: 50
TPSA: 203.44 NumAromaticRings: 0

Unique Aglycone
AD47896
Formula: C32H52O7

Smiles:
CC(=O)OC1CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)CCC2(C)C1C(C)(O)C(=O)CCC(C)(C)O
HBA: 7 RingCount: 4
HBD: 4 FractionCSP3: 0.88
AlogP: 4.34 Num_rotatable_bonds: 6
MolWt: 548.76 Num_heavy_atoms: 39
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD00003

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