Glycoside
...
GD007338

Name:
6-(2,7-dihydroxy-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-1-yl)-6-hydroxy-2-methyl-5-oxoheptan-2-yl acetate

Formula:
C38H62O12

Smiles:
CC(=O)OC(C)(C)CCC(=O)[C@@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)C4(C)C)[C@@]3(C)CC[C@]12C

Aglycone:
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)CCC12C

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
AD05987
Formula: C32H52O7

Smiles:
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)CCC12C
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