Glycoside
...
GD035396

Name:
4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 5-hydroxy-6-(9-hydroxy-9a,11a-dimethyl-7-{[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)-2,3-dimethylhept-2-enoate

Formula:
C46H74O20

Smiles:
CC(C[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C[C@H](O)[C@@]4(C)[C@H]3CC[C@@]12C)=C(C)C(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(CC(O)C(C)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12C)=C(C)C(=O)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 13 FractionCSP3: 0.89
AlogP: -2.39 Num_rotatable_bonds: 13
MolWt: 947.08 Num_heavy_atoms: 66
TPSA: 335.44 NumAromaticRings: 0

Unique Aglycone
AD13635
Formula: C28H44O5

Smiles:
CC(CC(O)C(C)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12C)=C(C)C(=O)O
HBA: 5 RingCount: 4
HBD: 4 FractionCSP3: 0.82
AlogP: 4.71 Num_rotatable_bonds: 5
MolWt: 460.66 Num_heavy_atoms: 33
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD00069

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O