Glycoside
GD000327
Name:
C 1228Formula:
C58H84O26Smiles:
COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC(C)=O)C(OC5CC(O)C(OC)C(C)O5)C(C)O4)cc(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(OC(=O)C(C)C)C(C)O3)C(O)C(C)O2)C(O)C(C)O1Aglycone:
CC(C)C(=O)O.O=C1c2c(cc3cc(O)cc(O)c3c2O)CCC1OSugarmoiety:
CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.COC(O)C(=O)C(O)C(C)O.COC1C(O)CC(OC2C(C)OC(O)CC2OC(C)=O)OC1COther Identifiers
Properties
| HBA: | 26 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.76 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 19 |
| MolWt: | 1197.28 | Num_heavy_atoms: | 84 |
| TPSA: | 359.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD00350
Formula: C4H8O2
Smiles:
CC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD00371
Formula: C14H12O5
Smiles:
O=C1c2c(cc3cc(O)cc(O)c3c2O)CCC1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.24 | Num_heavy_atoms: | 19 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
Sugarmoiety
SD00132
CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.COC(O)C(=O)C(O)C(C)O.COC1C(O)CC(OC2C(C)OC(O)CC2OC(C)=O)OC1C